TS-022 ANHYDROUS

Investigational

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 Search

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

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 `Fri Dec 15 16:38:54 GMT 2023` Edited by `admin` on `Fri Dec 15 16:38:54 GMT 2023`
Record UNII	6N4E8NI7RM
Record Status	`Validated (UNII)`
Record Version

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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

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					B19S3L3B7M

TS-022

SOLVATE->ANHYDROUS