TS-022

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H31ClO4S.H2O
Molecular Weight	420.991
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=HBBRGHQOBDRHIE-HICYURJWSA-N

InChI=1S/C20H31ClO4S.H2O/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);1H2/t15-,16-,17-,18-,19-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C20H31ClO4S
Molecular Weight	402.976
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:20:37 GMT 2025` Edited by `admin` on `Mon Mar 31 18:20:37 GMT 2025`
Record UNII	B19S3L3B7M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-((1R,2S,3R,5R)-5-CHLORO-2-((S)-3-CYCLOHEXYL-3-HYDROXYPROP-L-YNYL)-3-HYDROXYCYCLOPENTYL)BUTYLTHIO)ACETIC ACID MONOHYDRATE

Preferred Name

English

TS-022

Code

English

Code System Code Type Description

FDA UNII

B19S3L3B7M

Created by admin on Mon Mar 31 18:20:37 GMT 2025 , Edited by admin on Mon Mar 31 18:20:37 GMT 2025

PRIMARY

PUBCHEM

16049813

Created by admin on Mon Mar 31 18:20:37 GMT 2025 , Edited by admin on Mon Mar 31 18:20:37 GMT 2025

PRIMARY

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ANHYDROUS->SOLVATE