Basic information
- CAS
13957-38-5- Standard SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NC(CSCc1ccccc1)NS2(=O)=O- InChIKey
ZUNJWRJEKCRIMZ-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3O4S3
- Average molar mass
- 434 g/mol
- Monoisotopic mass
- 432.9991472
Overview
Hydrobentizide is a thiazide derivative, also known as dihydrobenzthiazide, and carbonic anhydrase inhibitor, with antihypertensive activity.
Names & identifiers
- Preferred name
- Hydrobentizide
- IUPAC
- 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- English name
- hydrobentizide
- Molecular formula
- C15H16ClN3O4S3
- Molecular weight
- 433.95
Names & synonyms
HydrobentizideAquazidHidrobentizidaHydrobentizidumHydrobenzthiazidedihydrobenzthiazideIdrobentizideIdrobentizide [DCIT]Hydrobentizide [INN:DCF]Hydrobentizidum [INN-Latin]Hidrobentizida [INN-Spanish]EINECS 237-737-4
Show more names
3-[(Benzylthio)methyl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide3-[(benzylsulfanyl)methyl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[[(phenylmethyl)thio]methyl]-, 1,1-dioxide
UNII-1486Y0D5WVBRN 05892561486Y0D5WVHYDROBENTIZIDE [INN]HYDROBENTIZIDE [WHO-DD]3-((Benzylthio)methyl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide3-Benzylthiomethyl-6-chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-(((phenylmethyl)thio)methyl)-, 1,1-dioxide
Database identifiers
- CAS
13957-38-5
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 686
Experimental & physicochemical properties
LogP1.11
Physicochemical properties
- FDA UNII
- 1486 Y0D5WV · 1486Y0D5WV
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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