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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12FN3O4
Molecular Weight 245.2077
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-DEOXY-5-FLUOROCYTIDINE

SMILES

C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(N)=NC2=O

InChI

InChIKey=YSNABXSEHNLERR-ZIYNGMLESA-N
InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H12FN3O4
Molecular Weight 245.2077
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: description was created based on several sources, including: http://www.rxlist.com/xeloda-drug.htm https://www.drugs.com/mtm/capecitabine.html

Capecitabine is a fluoropyrimidine carbamate with antineoplastic activity. It is an orally administered systemic prodrug which is converted to 5-fluorouracil (5-FU). Both normal and tumor cells metabolize 5-FU to 5-fluoro-2’-deoxyuridine monophosphate (FdUMP) and 5-fluorouridine triphosphate (FUTP). These metabolites cause cell injury by two different mechanisms. First, FdUMP and the folate cofactor, N5-10-methylenetetrahydrofolate, bind to thymidylate synthase (TS) to form a covalently bound ternary complex. This binding inhibits the formation of thymidylate from 2’-deoxyuridylate. Thymidylate is the necessary precursor of thymidine triphosphate, which is essential for the synthesis of DNA, so that a deficiency of this compound can inhibit cell division. Second, nuclear transcriptional enzymes can mistakenly incorporate FUTP in place of uridine triphosphate (UTP) during the synthesis of RNA. This metabolic error can interfere with RNA processing and protein synthesis. Most common adverse reactions (≥30%) were diarrhea, hand-and-foot syndrome, nausea, vomiting, abdominal pain, fatigue/weakness, and hyperbilirubinemia. The concentration of 5-fluorouracil is increased and its toxicity may be enhanced by leucovorin.

CNS Activity

Curator's Comment: The CNS penetration of 5-FU (Capecitabine is a prodrug that is enzymatically converted to 5-fluorouracil (5-FU) in the body) in human was predicted based on the penetration in preclinical brain tumor, CSF, and human PK and the predicted free CNS concentration was below the antiproliferative potency.

Originator

Curator's Comment: # Hoffmann-La Roche Inc.

Approval Year

TargetsConditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
XELODA

Approved Use

Capecitabine tablets, USP are a nucleoside metabolic inhibitor with antineoplastic activity indicated for: • Adjuvant Colon Cancer (1.1) oPatients with Dukes’ C colon cancer • Metastatic Colorectal Cancer (1.1) oFirst-line as monotherapy when treatment with fluoropyrimidine therapy alone is preferred • Metastatic Breast Cancer (1.2) oIn combination with docetaxel after failure of prior anthracycline-containing therapy oAs monotherapy in patients resistant to both paclitaxel and an anthracycline-containing regimen 1.1 Colorectal Cancer •Capecitabine tablets, USP are indicated as a single agent for adjuvant treatment in patients with Dukes’ C colon cancer who have undergone complete resection of the primary tumor when treatment with fluoropyrimidine therapy alone is preferred. Capecitabine was non-inferior to 5-fluorouracil and leucovorin (5-FU/LV) for disease-free survival (DFS). Physicians should consider results of combination chemotherapy trials, which have shown improvement in DFS and OS, when prescribing single-agent capecitabine in the adjuvant treatment of Dukes’ C colon cancer. •Capecitabine tablets are indicated as first-line treatment of patients with metastatic colorectal carcinoma when treatment with fluoropyrimidine therapy alone is preferred. Combination chemotherapy has shown a survival benefit compared to 5-FU/LV alone. A survival benefit over 5-FU/LV has not been demonstrated with capecitabine monotherapy. Use of capecitabine instead of 5-FU/LV in combinations has not been adequately studied to assure safety or preservation of the survival advantage. 1.2 Breast Cancer •Capecitabine tablets, USP in combination with docetaxel are indicated for the treatment of patients with metastatic breast cancer after failure of prior anthracycline-containing chemotherapy. •Capecitabine tablets monotherapy is also indicated for the treatment of patients with metastatic breast cancer resistant to both paclitaxel and an anthracycline-containing chemotherapy regimen or resistant to paclitaxel and for whom further anthracycline therapy is not indicated (e.g., patients who have received cumulative doses of 400 mg/m2 of doxorubicin or doxorubicin equivalents). Resistance is defined as progressive disease while on treatment, with or without an initial response, or relapse within 6 months of completing treatment with an anthracycline-containing adjuvant regimen.

Launch Date

8.9389439E11
Primary
XELODA

Approved Use

Capecitabine tablets, USP are a nucleoside metabolic inhibitor with antineoplastic activity indicated for: • Adjuvant Colon Cancer (1.1) oPatients with Dukes’ C colon cancer • Metastatic Colorectal Cancer (1.1) oFirst-line as monotherapy when treatment with fluoropyrimidine therapy alone is preferred • Metastatic Breast Cancer (1.2) oIn combination with docetaxel after failure of prior anthracycline-containing therapy oAs monotherapy in patients resistant to both paclitaxel and an anthracycline-containing regimen 1.1 Colorectal Cancer •Capecitabine tablets, USP are indicated as a single agent for adjuvant treatment in patients with Dukes’ C colon cancer who have undergone complete resection of the primary tumor when treatment with fluoropyrimidine therapy alone is preferred. Capecitabine was non-inferior to 5-fluorouracil and leucovorin (5-FU/LV) for disease-free survival (DFS). Physicians should consider results of combination chemotherapy trials, which have shown improvement in DFS and OS, when prescribing single-agent capecitabine in the adjuvant treatment of Dukes’ C colon cancer. •Capecitabine tablets are indicated as first-line treatment of patients with metastatic colorectal carcinoma when treatment with fluoropyrimidine therapy alone is preferred. Combination chemotherapy has shown a survival benefit compared to 5-FU/LV alone. A survival benefit over 5-FU/LV has not been demonstrated with capecitabine monotherapy. Use of capecitabine instead of 5-FU/LV in combinations has not been adequately studied to assure safety or preservation of the survival advantage. 1.2 Breast Cancer •Capecitabine tablets, USP in combination with docetaxel are indicated for the treatment of patients with metastatic breast cancer after failure of prior anthracycline-containing chemotherapy. •Capecitabine tablets monotherapy is also indicated for the treatment of patients with metastatic breast cancer resistant to both paclitaxel and an anthracycline-containing chemotherapy regimen or resistant to paclitaxel and for whom further anthracycline therapy is not indicated (e.g., patients who have received cumulative doses of 400 mg/m2 of doxorubicin or doxorubicin equivalents). Resistance is defined as progressive disease while on treatment, with or without an initial response, or relapse within 6 months of completing treatment with an anthracycline-containing adjuvant regimen.

Launch Date

8.9389439E11
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
3515 ng/mL
1250 mg/m² 2 times / day multiple, oral
dose: 1250 mg/m²
route of administration: Oral
experiment type: MULTIPLE
co-administered:
.ALPHA.-FLUORO-.BETA.-ALANINE blood
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
9105 ng/mL
1000 mg/m² 2 times / day multiple, oral
dose: 1000 mg/m²
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CAPECITABINE blood
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
45027 ng × h/mL
1250 mg/m² 2 times / day multiple, oral
dose: 1250 mg/m²
route of administration: Oral
experiment type: MULTIPLE
co-administered:
.ALPHA.-FLUORO-.BETA.-ALANINE blood
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
10238 ng × h/mL
1000 mg/m² 2 times / day multiple, oral
dose: 1000 mg/m²
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CAPECITABINE blood
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
0.78 h
1000 mg/m² 2 times / day multiple, oral
dose: 1000 mg/m²
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CAPECITABINE blood
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FED
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
65%
CAPECITABINE plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Doses

Doses

DosePopulationAdverse events​
2500 mg 2 times / day multiple, oral
Highest studied dose
Dose: 2500 mg, 2 times / day
Route: oral
Route: multiple
Dose: 2500 mg, 2 times / day
Sources: Page: p.1799
unhealthy, 34-68
n = 7
Health Status: unhealthy
Condition: Breast cancer
Age Group: 34-68
Sex: F
Population Size: 7
Sources: Page: p.1799
DLT: Hand-and-foot syndrome, Diarrhea...
Dose limiting toxicities:
Hand-and-foot syndrome (grade 3, 28.6%)
Diarrhea (grade 3, 14.29%)
Sources: Page: p.1799
2000 mg 2 times / day multiple, oral
MTD
Dose: 2000 mg, 2 times / day
Route: oral
Route: multiple
Dose: 2000 mg, 2 times / day
Sources: Page: p.1799
unhealthy, 41-53
n = 7
Health Status: unhealthy
Condition: Breast cancer
Age Group: 41-53
Sex: F
Population Size: 7
Sources: Page: p.1799
DLT: Hand-and-foot syndrome...
Dose limiting toxicities:
Hand-and-foot syndrome (grade 3, 14.29%)
Sources: Page: p.1799
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Disc. AE: Coagulopathy, Diarrhea...
AEs leading to
discontinuation/dose reduction:
Coagulopathy
Diarrhea
Cardiotoxicity
Dehydration
Renal failure
Fetal damage
Mucocutaneous disorder (severe)
Stevens Johnson syndrome
Toxic epidermal necrolysis
Hyperbilirubinemia
Sources: Page: p.1
AEs

AEs

AESignificanceDosePopulation
Diarrhea grade 3, 14.29%
DLT
2500 mg 2 times / day multiple, oral
Highest studied dose
Dose: 2500 mg, 2 times / day
Route: oral
Route: multiple
Dose: 2500 mg, 2 times / day
Sources: Page: p.1799
unhealthy, 34-68
n = 7
Health Status: unhealthy
Condition: Breast cancer
Age Group: 34-68
Sex: F
Population Size: 7
Sources: Page: p.1799
Hand-and-foot syndrome grade 3, 28.6%
DLT
2500 mg 2 times / day multiple, oral
Highest studied dose
Dose: 2500 mg, 2 times / day
Route: oral
Route: multiple
Dose: 2500 mg, 2 times / day
Sources: Page: p.1799
unhealthy, 34-68
n = 7
Health Status: unhealthy
Condition: Breast cancer
Age Group: 34-68
Sex: F
Population Size: 7
Sources: Page: p.1799
Hand-and-foot syndrome grade 3, 14.29%
DLT
2000 mg 2 times / day multiple, oral
MTD
Dose: 2000 mg, 2 times / day
Route: oral
Route: multiple
Dose: 2000 mg, 2 times / day
Sources: Page: p.1799
unhealthy, 41-53
n = 7
Health Status: unhealthy
Condition: Breast cancer
Age Group: 41-53
Sex: F
Population Size: 7
Sources: Page: p.1799
Cardiotoxicity Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Coagulopathy Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Dehydration Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Diarrhea Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Fetal damage Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Hyperbilirubinemia Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Renal failure Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Stevens Johnson syndrome Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Toxic epidermal necrolysis Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
Mucocutaneous disorder severe
Disc. AE
1250 mg/m2 2 times / day multiple, oral
Recommended
Dose: 1250 mg/m2, 2 times / day
Route: oral
Route: multiple
Dose: 1250 mg/m2, 2 times / day
Sources: Page: p.1
unhealthy
Health Status: unhealthy
Condition: Adjuv ant Colon Cancer|Metastatic Colorectal Cancer|Metastatic Breast Cancer
Sources: Page: p.1
PubMed

PubMed

TitleDatePubMed
Use of capecitabine as first-line therapy in patients with metastatic breast cancer relapsing after high-dose chemotherapy and autologous stem cell support.
2001
Capecitabine: a review of its use in the treatment of advanced or metastatic colorectal cancer.
2001
Dose scheduling--Herceptin.
2001
Optimizing the use of irinotecan in colorectal cancer.
2001
Answering patients' needs: oral alternatives to intravenous therapy.
2001
[Xeloda (capecetabine) in the treatment of disseminated breast cancer after failure with anthracyclines and taxanes].
2001
[The potential of capecitabine (Xeloda) in the treatment of disseminated solid tumors].
2001
Chemotherapy of metastatic breast cancer: what to expect in 2001 and beyond.
2001
The oral fluorinated pyrimidines.
2001
Clinical pharmacokinetics of capecitabine.
2001
The Twenty-third Annual San Antonio Breast Cancer Symposium.
2001
Metastatic breast cancer: understanding current management options.
2001 Apr
Schedule dependency of antitumor activity in combination therapy with capecitabine/5'-deoxy-5-fluorouridine and docetaxel in breast cancer models.
2001 Apr
Comparison of oral capecitabine versus intravenous fluorouracil plus leucovorin as first-line treatment in 605 patients with metastatic colorectal cancer: results of a randomized phase III study.
2001 Apr 15
New options for outpatient chemotherapy--the role of oral fluoropyrimidines.
2001 Aug
Capecitabine for 5-fluorouracil-resistant brain metastases from breast cancer.
2001 Aug
Combination chemotherapy of the taxanes and antimetabolites: its use and limitations.
2001 Dec
5-fluorouracil/leucovorin versus capecitabine in patients with stage III colon cancer.
2001 Feb
Capecitabine in breast cancer: current status.
2001 Jan
Oral fluoropyrimidine-based combination therapy in gastrointestinal cancer.
2001 Jan
[Docetaxel (Taxotere) in combination with anthracycline, capecitabin (Xeloda) and new drugs].
2001 Jan-Feb
[Capecitabine in the treatment of colorectal cancer].
2001 Jan-Feb
Capecitabine monotherapy in metastatic colorectal cancer.
2001 Jul
New chemotherapy approaches in colorectal cancer.
2001 Jul
[Tumoral levels of thymidine phosphorylase and dihydropyrimidine dehydrogenase in elderly colorectal cancer patients].
2001 Jun
Role of the human concentrative nucleoside transporter (hCNT1) in the cytotoxic action of 5[Prime]-deoxy-5-fluorouridine, an active intermediate metabolite of capecitabine, a novel oral anticancer drug.
2001 Jun
Oral fluoropyrimidines among the new drugs for patients with metastatic breast cancer.
2001 Jun 1
Future directions in adjuvant therapy for stage III colon carcinoma.
2001 Mar
Current status of oral chemotherapy for colorectal cancer.
2001 Mar
Capecitabine (Xeloda) improves medical resource use compared with 5-fluorouracil plus leucovorin in a phase III trial conducted in patients with advanced colorectal carcinoma.
2001 Mar
[Chemotherapy of colonic carcinoma in the year 2001].
2001 Mar 22
[Oral cytostatic drug in colorectal carcinoma. Selective tumor therapy at home].
2001 Mar 29
Coronary spasm induced by capecitabine.
2001 May
Integrating the oral fluoropyrimidines into the management of advanced colorectal cancer.
2001 May
Renal cell carcinoma.
2001 May
Enhancement of sensitivity to capecitabine in human renal carcinoma cells transfected with thymidine phosphorylase cDNA.
2001 May 1
The clinical pharmacology of the oral fluoropyrimidines.
2001 May-Jun
An EORTC phase I study of epirubicin in combination with fixed doses of cyclophosphamide and infusional 5-fu (CEF-infu) as primary treatment of large operable or locally advanced/inflammatory breast cancer.
2001 Nov
Oral capecitabine compared with intravenous fluorouracil plus leucovorin in patients with metastatic colorectal cancer: results of a large phase III study.
2001 Nov 1
Nonsurgical treatment of hepatocellular carcinoma.
2001 Oct
Strategies of medical treatment for metastatic breast cancer (Review).
2001 Oct
Multicenter, Phase II study of capecitabine in taxane-pretreated metastatic breast carcinoma patients.
2001 Oct 1
Randomized, open-label, phase II trial of oral capecitabine (Xeloda) vs. a reference arm of intravenous CMF (cyclophosphamide, methotrexate and 5-fluorouracil) as first-line therapy for advanced/metastatic breast cancer.
2001 Sep
Capecitabine: a novel agent for the treatment of solid tumors.
2001 Sep
Onychomadesis and onycholysis associated with capecitabine.
2001 Sep
Taxanes and capecitabine in combination: rationale and clinical results.
2002 Jan
Immunohistochemical variation of human equilibrative nucleoside transporter 1 protein in primary breast cancers.
2002 Jan
Phase II study of oral capecitabine in patients with advanced or metastatic pancreatic cancer.
2002 Jan 1
[The new chemotherapy of colorectal cancers].
2002 Jan 26
The effect of adjuvant 5'-deoxy-5-fluorouridine in early stage breast cancer patients: results from a multicenter randomized controlled trial.
2002 Mar
Patents

Sample Use Guides

Take XELODA with water within 30 min after a meal. Monotherapy: 1250 mg/m2 twice daily orally for 2 weeks followed by a one week rest period in 3-week cycles.
Route of Administration: Oral
After 48 hours treatment of MCF7 cell line with capecitabine, in the concentration of 1147.9 μg/ml 50% of cells have been inhibited. After 72 hours treatment of the cells with capecitabine, at the concentration of 921 μg/ml 50% of cells have been inhibited.
Substance Class Chemical
Created
by admin
on Thu Jul 06 11:32:21 UTC 2023
Edited
by admin
on Thu Jul 06 11:32:21 UTC 2023
Record UNII
8RWB05I6ON
Record Status Validated (UNII)
Record Version
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Name Type Language
5'-DEOXY-5-FLUOROCYTIDINE
Systematic Name English
CAPECITABINE RELATED COMPOUND A [USP IMPURITY]
Common Name English
CYTIDINE, 5'-DEOXY-5-FLUORO-
Systematic Name English
5'-DFCR
Common Name English
CAPECITABINE RELATED COMPOUND A
USP   USP-RS  
Common Name English
CYTIDINE, 5'-DEOXY-5-FLUORO
Common Name English
CAPECITABINE RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00216543
Created by admin on Thu Jul 06 11:32:22 UTC 2023 , Edited by admin on Thu Jul 06 11:32:22 UTC 2023
PRIMARY
PUBCHEM
10037499
Created by admin on Thu Jul 06 11:32:22 UTC 2023 , Edited by admin on Thu Jul 06 11:32:22 UTC 2023
PRIMARY
FDA UNII
8RWB05I6ON
Created by admin on Thu Jul 06 11:32:22 UTC 2023 , Edited by admin on Thu Jul 06 11:32:22 UTC 2023
PRIMARY
CAS
66335-38-4
Created by admin on Thu Jul 06 11:32:22 UTC 2023 , Edited by admin on Thu Jul 06 11:32:22 UTC 2023
PRIMARY
RS_ITEM_NUM
1090717
Created by admin on Thu Jul 06 11:32:22 UTC 2023 , Edited by admin on Thu Jul 06 11:32:22 UTC 2023
PRIMARY
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