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Details

Stereochemistry RACEMIC
Molecular Formula C9H12ClNO3S
Molecular Weight 249.714
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SACLOFEN

SMILES

NCC(CS(O)(=O)=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=JYLNVJYYQQXNEK-UHFFFAOYSA-N
InChI=1S/C9H12ClNO3S/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C9H12ClNO3S
Molecular Weight 249.714
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:57:45 UTC 2023
Edited
by admin
on Sat Dec 16 10:57:45 UTC 2023
Record UNII
LRZ36BCQ1Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SACLOFEN
Common Name English
3-AMINO-2-(4-CHLOROPHENYL)PROPANE-1-SULFONIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90903970
Created by admin on Sat Dec 16 10:57:45 UTC 2023 , Edited by admin on Sat Dec 16 10:57:45 UTC 2023
PRIMARY
CAS
125464-42-8
Created by admin on Sat Dec 16 10:57:45 UTC 2023 , Edited by admin on Sat Dec 16 10:57:45 UTC 2023
PRIMARY
PUBCHEM
122150
Created by admin on Sat Dec 16 10:57:45 UTC 2023 , Edited by admin on Sat Dec 16 10:57:45 UTC 2023
PRIMARY
WIKIPEDIA
Saclofen
Created by admin on Sat Dec 16 10:57:45 UTC 2023 , Edited by admin on Sat Dec 16 10:57:45 UTC 2023
PRIMARY
FDA UNII
LRZ36BCQ1Y
Created by admin on Sat Dec 16 10:57:45 UTC 2023 , Edited by admin on Sat Dec 16 10:57:45 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE ENANTIOMER->RACEMATE
TARGET -> INHIBITOR