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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14ClNO3S
Molecular Weight 287.762
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-THIOMORPHOLINECARBOXYLIC ACID, 6-(3-CHLOROPHENYL)-6-HYDROXY-5-METHYL-, (3S,5S,6S)-

SMILES

C[C@@H]1N[C@H](CS[C@@]1(O)C2=CC=CC(Cl)=C2)C(O)=O

InChI

InChIKey=NUKIHEHYUSKICU-HNBZJPLGSA-N
InChI=1S/C12H14ClNO3S/c1-7-12(17,8-3-2-4-9(13)5-8)18-6-10(14-7)11(15)16/h2-5,7,10,14,17H,6H2,1H3,(H,15,16)/t7-,10+,12+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-THIOMORPHOLINECARBOXYLIC ACID, 6-(3-CHLOROPHENYL)-6-HYDROXY-5-METHYL-, (3S,5S,6S)-
Preferred Name English
Code System Code Type Description
PUBCHEM
124930344
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
PRIMARY
CAS
2133460-42-9
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
PRIMARY
FDA UNII
3PF93NM6VT
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
PRIMARY
NIH
NCATS
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