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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18O9
Molecular Weight 414.3622
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXORUBICINONE

SMILES

COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@](O)(C[C@H](O)C4=C3O)C(=O)CO

InChI

InChIKey=IBZGBXXTIGCACK-CWKPULSASA-N
InChI=1S/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1

HIDE SMILES / InChI
Molecular Formula C21H18O9
Molecular Weight 414.3622
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
DNA
278
Target ID: CHEMBL2311221
Binding Agent
1064
PubMed

PubMed

TitleDatePubMed
Patents

Patents

20060223134
1
20090215078
1
20090215082
1
7569358
1
WO2013070911A1
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:16:48 UTC 2023
Edited
by admin
on Fri Dec 15 16:16:48 UTC 2023
Record UNII
X023T6C35L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOXORUBICINONE
USP-RS  
Common Name English
(8S,10S)-6,8,10,11-TETRAHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE
Systematic Name English
DOXORUBICINONE [USP-RS]
Common Name English
DOXORUBICIN AGLYCONE
Common Name English
ADRIAMYCIN AGLYCONE
Common Name English
VALRUBICIN IMPURITY, DOXORUBICINONE [USP IMPURITY]
Common Name English
EPIRUBICIN IMPURITY A
Common Name English
5,12-NAPHTHACENEDIONE, 7,8,9,10-TETRAHYDRO-6,8,10,11-TETRAHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-, (8S,10S)-
Systematic Name English
ADRIAMYCINONE
Common Name English
5,12-NAPHTHACENEDIONE, 7,8,9,10-TETRAHYDRO-6,8,10,11-TETRAHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S-CIS)-
Common Name English
EPIRUBICIN AGLYCONE
Common Name English
EPIRUBICIN HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
EPIRUBICIN HYDROCHLORIDE IMPURITY, DOXORUBICINONE- [USP IMPURITY]
Common Name English
DOXORUBICIN HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
72401
Created by admin on Fri Dec 15 16:16:48 UTC 2023 , Edited by admin on Fri Dec 15 16:16:48 UTC 2023
PRIMARY
CAS
24385-10-2
Created by admin on Fri Dec 15 16:16:48 UTC 2023 , Edited by admin on Fri Dec 15 16:16:48 UTC 2023
PRIMARY
RS_ITEM_NUM
1225758
Created by admin on Fri Dec 15 16:16:48 UTC 2023 , Edited by admin on Fri Dec 15 16:16:48 UTC 2023
PRIMARY
FDA UNII
X023T6C35L
Created by admin on Fri Dec 15 16:16:48 UTC 2023 , Edited by admin on Fri Dec 15 16:16:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID70875303
Created by admin on Fri Dec 15 16:16:48 UTC 2023 , Edited by admin on Fri Dec 15 16:16:48 UTC 2023
PRIMARY
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Structure of DOXORUBICINOL AGLYCONE
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Structure of EPIRUBICIN
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Structure of DOXORUBICIN
PARENT -> METABOLITE
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Related Record Type Details
Structure of DOXORUBICIN HYDROCHLORIDE
PARENT -> IMPURITY
Structure of EPIRUBICIN HYDROCHLORIDE
PARENT -> IMPURITY
Structure of DOXORUBICIN HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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Structure of VALRUBICIN
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NIH
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