U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C15H16ClN3O4S3
Molecular Weight 433.953
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROBENTIZIDE

SMILES

NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)NS(=O)(=O)C2=C1

InChI

InChIKey=ZUNJWRJEKCRIMZ-UHFFFAOYSA-N
InChI=1S/C15H16ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7,15,18-19H,8-9H2,(H2,17,20,21)

HIDE SMILES / InChI

Molecular Formula C15H16ClN3O4S3
Molecular Weight 433.953
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:05:24 GMT 2023
Edited
by admin
on Sat Dec 16 17:05:24 GMT 2023
Record UNII
1486Y0D5WV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROBENTIZIDE
INN   WHO-DD  
INN  
Official Name English
DIHYDROBENZTHIAZIDE
Common Name English
3-((BENZYLTHIO)METHYL)-6-CHLORO-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
Systematic Name English
hydrobentizide [INN]
Common Name English
Hydrobentizide [WHO-DD]
Common Name English
AQUAZID
Brand Name English
2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE, 6-CHLORO-3,4-DIHYDRO-3-(((PHENYLMETHYL)THIO)METHYL)-, 1,1-DIOXIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C49185
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
Code System Code Type Description
FDA UNII
1486Y0D5WV
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID50864457
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
SMS_ID
100000084194
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106367
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
237-737-4
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
INN
1595
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
NCI_THESAURUS
C83762
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
EVMPD
SUB08061MIG
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
CAS
13957-38-5
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
PUBCHEM
71864
Created by admin on Sat Dec 16 17:05:24 GMT 2023 , Edited by admin on Sat Dec 16 17:05:24 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY