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Details

Stereochemistry RACEMIC
Molecular Formula C21H29NO4S
Molecular Weight 391.524
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-644122, (±)-

SMILES

OC(=O)C1=CC=C(CCCC2SCC(=O)N2CCC3(O)CCCCC3)C=C1

InChI

InChIKey=BCZCFHAXZSPKAV-UHFFFAOYSA-N
InChI=1S/C21H29NO4S/c23-18-15-27-19(22(18)14-13-21(26)11-2-1-3-12-21)6-4-5-16-7-9-17(10-8-16)20(24)25/h7-10,19,26H,1-6,11-15H2,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C21H29NO4S
Molecular Weight 391.524
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 13:45:09 GMT 2023
Edited
by admin
on Sat Dec 16 13:45:09 GMT 2023
Record UNII
8FR918M34P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-644122, (±)-
Code English
4-(3-(3-(2-(1-HYDROXYCYCLOHEXYL)ETHYL)-4-OXO-2-THIAZOLIDINYL)PROPYL)BENZOIC ACID
Common Name English
BENZOIC ACID, 4-(3-(3-(2-(1-HYDROXYCYCLOHEXYL)ETHYL)-4-OXO-2-THIAZOLIDINYL)PROPYL)-
Common Name English
Code System Code Type Description
CAS
72313-44-1
Created by admin on Sat Dec 16 13:45:09 GMT 2023 , Edited by admin on Sat Dec 16 13:45:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID80993103
Created by admin on Sat Dec 16 13:45:09 GMT 2023 , Edited by admin on Sat Dec 16 13:45:09 GMT 2023
PRIMARY
PUBCHEM
175027
Created by admin on Sat Dec 16 13:45:09 GMT 2023 , Edited by admin on Sat Dec 16 13:45:09 GMT 2023
PRIMARY
FDA UNII
8FR918M34P
Created by admin on Sat Dec 16 13:45:09 GMT 2023 , Edited by admin on Sat Dec 16 13:45:09 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE