ACETIC ACID, 2-((((8.BETA.)-6-PROPYLERGOLIN-8-YL)METHYL)THIO)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26N2O2S
Molecular Weight	358.498
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETIC ACID, 2-((((8.BETA.)-6-PROPYLERGOLIN-8-YL)METHYL)THIO)-

Structure Search

SMILES

CCCN1C[C@H](CSCC(O)=O)C[C@H]2[C@H]1CC3=CNC4=C3C2=CC=C4

InChI

InChIKey=BWNBQXZTGXJXQL-MZMPZRCHSA-N

InChI=1S/C20H26N2O2S/c1-2-6-22-10-13(11-25-12-19(23)24)7-16-15-4-3-5-17-20(15)14(9-21-17)8-18(16)22/h3-5,9,13,16,18,21H,2,6-8,10-12H2,1H3,(H,23,24)/t13-,16-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H26N2O2S
Molecular Weight	358.498
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 `Wed Apr 02 06:43:25 GMT 2025` Edited by `admin` on `Wed Apr 02 06:43:25 GMT 2025`
Record UNII	0GAJ5ZC0B0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((((8.BETA.)-6-PROPYLERGOLIN-8-YL)METHYL)THIO)ACETIC ACID

Preferred Name

English

ACETIC ACID, 2-((((8.BETA.)-6-PROPYLERGOLIN-8-YL)METHYL)THIO)-

Systematic Name

English

ACETIC ACID, ((((8.BETA.)-6-PROPYLERGOLIN-8-YL)METHYL)THIO)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

129140811

Created by admin on Wed Apr 02 06:43:25 GMT 2025 , Edited by admin on Wed Apr 02 06:43:25 GMT 2025

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FDA UNII

0GAJ5ZC0B0

Created by admin on Wed Apr 02 06:43:25 GMT 2025 , Edited by admin on Wed Apr 02 06:43:25 GMT 2025

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CAS

478815-25-7

Created by admin on Wed Apr 02 06:43:25 GMT 2025 , Edited by admin on Wed Apr 02 06:43:25 GMT 2025

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