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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8ClN3O4S2.ClH
Molecular Weight 334.2
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROCHLOROTHIAZIDE HYDROCHLORIDE

SMILES

Cl.NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1

InChI

InChIKey=HNLAFWZKHCUIMC-UHFFFAOYSA-N
InChI=1S/C7H8ClN3O4S2.ClH/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5;/h1-2,10-11H,3H2,(H2,9,12,13);1H

HIDE SMILES / InChI
Molecular Formula C7H8ClN3O4S2
Molecular Weight 297.739
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

1959
143
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 70.0 µM [IC50]
Inhibitor
8504
 117.0 µM [IC50]
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
490 ng/mL
DRUG LABEL
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/020504s018lbl.pdf
100 mg single, oral
dose: 100 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
70 ng/mL
DRUG LABEL
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/020504s018lbl.pdf
12.5 mg 1 times / day steady-state, oral
dose: 12.5 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
142.5 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/11112088/
25 mg single, oral
dose: 25 mg
route of administration: Oral
experiment type: SINGLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: UNKNOWN
food status: UNKNOWN
1032.22 ng/mL
EXPERIMENT
https://japsonline.com/abstract.php?article_id=2146&sts=2
25 mg single, oral
dose: 25 mg
route of administration: Oral
experiment type: SINGLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
164 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/3034318/
25 mg 1 times / day multiple, oral
dose: 25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
210 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/3034318/
25 mg 1 times / day multiple, oral
dose: 25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
954.44 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/11112088/
25 mg single, oral
dose: 25 mg
route of administration: Oral
experiment type: SINGLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: UNKNOWN
food status: UNKNOWN
3615.08 ng × h/mL
EXPERIMENT
https://japsonline.com/abstract.php?article_id=2146&sts=2
25 mg single, oral
dose: 25 mg
route of administration: Oral
experiment type: SINGLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
1629 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/3034318/
25 mg 1 times / day multiple, oral
dose: 25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
1760 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/3034318/
25 mg 1 times / day multiple, oral
dose: 25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
14.8 h
DRUG LABEL
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/020504s018lbl.pdf
100 mg single, oral
dose: 100 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
8.57 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/11112088/
25 mg single, oral
dose: 25 mg
route of administration: Oral
experiment type: SINGLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: UNKNOWN
food status: UNKNOWN
7.1 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/3034318/
25 mg 1 times / day multiple, oral
dose: 25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
7.5 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/3034318/
25 mg 1 times / day multiple, oral
dose: 25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: CAPTOPRIL
CAPTOPRIL
 HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
46%
DRUG LABEL
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/020504s018lbl.pdf
100 mg single, oral
dose: 100 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
HYDROCHLOROTHIAZIDE plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
56%
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/26142561/
HYDROCHLOROTHIAZIDE serum
Homo sapiens
Doses

Doses

DosePopulationAdverse events​
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
unhealthy, 55.5
Health Status: unhealthy
Age Group: 55.5
Sex: M+F
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
Disc. AE: Fatigue, Hypokalemia...
AEs leading to
discontinuation/dose reduction:
Fatigue (1.12%)
Hypokalemia (1.12%)
Dry mouth (1.12%)
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
100 mg single, oral
Recommended
Dose: 100 mg
Route: oral
Route: single
Dose: 100 mg
Sources:
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/040735s004,040770s003lbl.pdf
unhealthy
Health Status: unhealthy
Sources:
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/040735s004,040770s003lbl.pdf
Disc. AE: Acute myopia, Angle closure glaucoma...
AEs leading to
discontinuation/dose reduction:
Acute myopia
Angle closure glaucoma
Sources:
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/040735s004,040770s003lbl.pdf
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
unhealthy
Health Status: unhealthy
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
Disc. AE: Acute myopia, Angle closure glaucoma...
AEs leading to
discontinuation/dose reduction:
Acute myopia
Angle closure glaucoma
Diabetes
Hypoglycemia
Renal disease
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
AEs

AEs

AESignificanceDosePopulation
Dry mouth 1.12%
Disc. AE
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
unhealthy, 55.5
Health Status: unhealthy
Age Group: 55.5
Sex: M+F
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
Fatigue 1.12%
Disc. AE
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
unhealthy, 55.5
Health Status: unhealthy
Age Group: 55.5
Sex: M+F
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
Hypokalemia 1.12%
Disc. AE
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
unhealthy, 55.5
Health Status: unhealthy
Age Group: 55.5
Sex: M+F
Sources:
https://pubmed.ncbi.nlm.nih.gov/10423601
Acute myopia Disc. AE
100 mg single, oral
Recommended
Dose: 100 mg
Route: oral
Route: single
Dose: 100 mg
Sources:
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/040735s004,040770s003lbl.pdf
unhealthy
Health Status: unhealthy
Sources:
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/040735s004,040770s003lbl.pdf
Angle closure glaucoma Disc. AE
100 mg single, oral
Recommended
Dose: 100 mg
Route: oral
Route: single
Dose: 100 mg
Sources:
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/040735s004,040770s003lbl.pdf
unhealthy
Health Status: unhealthy
Sources:
https://www.accessdata.fda.gov/drugsatfda_docs/label/2011/040735s004,040770s003lbl.pdf
Acute myopia Disc. AE
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
unhealthy
Health Status: unhealthy
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
Angle closure glaucoma Disc. AE
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
unhealthy
Health Status: unhealthy
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
Diabetes Disc. AE
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
unhealthy
Health Status: unhealthy
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
Hypoglycemia Disc. AE
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
unhealthy
Health Status: unhealthy
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
Renal disease Disc. AE
50 mg 1 times / day multiple, oral
Recommended
Dose: 50 mg, 1 times / day
Route: oral
Route: multiple
Dose: 50 mg, 1 times / day
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
unhealthy
Health Status: unhealthy
Sources:
https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=a24c641e-85f0-4aac-8703-2e596d673448&type=display
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer
OAT3
747

OAT1
725

OAT2
153
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
OAT2
155
 yes [IC50 1023 uM]
OAT1
730
 yes [IC50 67.3 uM]
OAT3
749
 yes [IC50 942 uM]
Sourcing

Sourcing

Vendor/AggregatorIDURL
ChEBI
CHEBI:5778
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5778
ChemicalBook
CB31564779
https://www.chemicalbook.com/ChemicalProductProperty_EN_CB31564779
ChemicalBook
CB5383966
https://www.chemicalbook.com/ChemicalProductProperty_EN_CB5383966
eMolecules
539058
https://www.emolecules.com/cgi-bin/more?vid=539058
MolPort
MolPort-000-144-465
https://www.molport.com/shop/molecule-link/MolPort-000-144-465
Selleck Chemicals
Hydrochlorothiazide
http://www.selleckchem.com/products/Hydrochlorothiazide.html
ZINC
ZINC000000896569
http://zinc15.docking.org/substances/ZINC000000896569
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:02:01 GMT 2025
Edited
by admin
on Mon Mar 31 19:02:01 GMT 2025
Record UNII
8ZJA0NWF31
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROCHLOROTHIAZIDE HCL
Preferred Name English
HYDROCHLOROTHIAZIDE HYDROCHLORIDE
Common Name English
2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE, 6-CHLORO-3,4-DIHYDRO-, 1,1-DIOXIDE, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
148451
Created by admin on Mon Mar 31 19:02:01 GMT 2025 , Edited by admin on Mon Mar 31 19:02:01 GMT 2025
PRIMARY
CAS
42461-28-9
Created by admin on Mon Mar 31 19:02:01 GMT 2025 , Edited by admin on Mon Mar 31 19:02:01 GMT 2025
NON-SPECIFIC STOICHIOMETRY
FDA UNII
8ZJA0NWF31
Created by admin on Mon Mar 31 19:02:01 GMT 2025 , Edited by admin on Mon Mar 31 19:02:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID90195237
Created by admin on Mon Mar 31 19:02:01 GMT 2025 , Edited by admin on Mon Mar 31 19:02:01 GMT 2025
PRIMARY
Related Record Type Details
Structure of HYDROCHLOROTHIAZIDE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of HYDROCHLOROTHIAZIDE
ACTIVE MOIETY
NIH
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