U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31ClO4S
Molecular Weight 402.976
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TS-022 ANHYDROUS

SMILES

O[C@H](C#C[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1CCCCSCC(O)=O)C2CCCCC2

InChI

InChIKey=KNSJUEPORNIWQC-FVVUREQNSA-N
InChI=1S/C20H31ClO4S/c21-17-12-19(23)16(9-10-18(22)14-6-2-1-3-7-14)15(17)8-4-5-11-26-13-20(24)25/h14-19,22-23H,1-8,11-13H2,(H,24,25)/t15-,16-,17-,18-,19-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TS-022 ANHYDROUS
Code English
ACETIC ACID, ((4-((1R,2S,3R,5R)-5-CHLORO-2-((3S)-3-CYCLOHEXYL-3-HYDROXY-1-PROPYNYL)-3-HYDROXYCYCLOPENTYL)BUTYL)THIO)
Systematic Name English
Code System Code Type Description
CAS
170730-17-3
Created by admin on Fri Dec 15 16:38:54 GMT 2023 , Edited by admin on Fri Dec 15 16:38:54 GMT 2023
PRIMARY
PUBCHEM
9930984
Created by admin on Fri Dec 15 16:38:54 GMT 2023 , Edited by admin on Fri Dec 15 16:38:54 GMT 2023
PRIMARY
FDA UNII
6N4E8NI7RM
Created by admin on Fri Dec 15 16:38:54 GMT 2023 , Edited by admin on Fri Dec 15 16:38:54 GMT 2023
PRIMARY