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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,5R,6R)-

SMILES

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

InChI

InChIKey=NUKIHEHYUSKICU-XXFPWJFMSA-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+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H14ClNO3S
Molecular Weight 287.762
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:06:16 UTC 2023
Edited
by admin
on Sat Dec 16 18:06:16 UTC 2023
Record UNII
XTY7LCB7MW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-THIOMORPHOLINECARBOXYLIC ACID, 6-(3-CHLOROPHENYL)-6-HYDROXY-5-METHYL-, (3S,5R,6R)-
Systematic Name English
Code System Code Type Description
CAS
2133460-43-0
Created by admin on Sat Dec 16 18:06:16 UTC 2023 , Edited by admin on Sat Dec 16 18:06:16 UTC 2023
PRIMARY
FDA UNII
XTY7LCB7MW
Created by admin on Sat Dec 16 18:06:16 UTC 2023 , Edited by admin on Sat Dec 16 18:06:16 UTC 2023
PRIMARY
PUBCHEM
141488105
Created by admin on Sat Dec 16 18:06:16 UTC 2023 , Edited by admin on Sat Dec 16 18:06:16 UTC 2023
PRIMARY
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