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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14F3N3O4S2
Molecular Weight 421.415
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENDROFLUMETHIAZIDE, (S)-

SMILES

NS(=O)(=O)C1=CC2=C(N[C@H](CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F

InChI

InChIKey=HDWIHXWEUNVBIY-AWEZNQCLSA-N
InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H14F3N3O4S2
Molecular Weight 421.415
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:25:57 UTC 2023
Edited
by admin
on Sat Dec 16 10:25:57 UTC 2023
Record UNII
8G2L3JUW5S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENDROFLUMETHIAZIDE, (S)-
Common Name English
2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE, 3,4-DIHYDRO-3-(PHENYLMETHYL)-6-(TRIFLUOROMETHYL)-, 1,1-DIOXIDE, (3S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10424975
Created by admin on Sat Dec 16 10:25:57 UTC 2023 , Edited by admin on Sat Dec 16 10:25:57 UTC 2023
PRIMARY
FDA UNII
8G2L3JUW5S
Created by admin on Sat Dec 16 10:25:57 UTC 2023 , Edited by admin on Sat Dec 16 10:25:57 UTC 2023
PRIMARY
PUBCHEM
6604206
Created by admin on Sat Dec 16 10:25:57 UTC 2023 , Edited by admin on Sat Dec 16 10:25:57 UTC 2023
PRIMARY
CAS
1245935-40-3
Created by admin on Sat Dec 16 10:25:57 UTC 2023 , Edited by admin on Sat Dec 16 10:25:57 UTC 2023
PRIMARY
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