PERGOLIDE SULFOXIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26N2OS
Molecular Weight	330.488
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CS(C)=O)CN2CCC

InChI

InChIKey=WOIHSNDTPKFAJW-LNWQLOGCSA-N

InChI=1S/C19H26N2OS/c1-3-7-21-11-13(12-23(2)22)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-,23?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H26N2OS
Molecular Weight	330.488
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 `Sat Dec 16 11:19:01 GMT 2023` Edited by `admin` on `Sat Dec 16 11:19:01 GMT 2023`
Record UNII	EXP9M9GZ9S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PERGOLIDE SULFOXIDE

Common Name

English

ERGOLINE, 8-((METHYLSULFINYL)METHYL)-6-PROPYL-, (8.BETA.)-

Systematic Name

English

PERGOLIDE MESILATE IMPURITY A [EP IMPURITY]

Common Name

English

PERGOLIDE MESYLATE IMPURITY A [EP IMPURITY]

Common Name

English

(6AR,9R,10AR)-9-((METHYLSULFINYL)METHYL)-7-PROPYL-4,6,6A,7,8,9,10,10A-OCTAHYDROINDOLO(4,3-FG)QUINOLINE

Systematic Name

English

(8.BETA.)-8-((METHYLSULFINYL)METHYL)-6-PROPYLERGOLINE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90993614