2?-epi-Methylergometrine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25N3O2
Molecular Weight	339.4314
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2CC3=CNC4=C3C(=CC=C4)C2=C1

InChI

InChIKey=UNBRKDKAWYKMIV-HBUWYVDXSA-N

InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H25N3O2
Molecular Weight	339.4314
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 17:37:49 GMT 2025` Edited by `admin` on `Wed Apr 02 17:37:49 GMT 2025`
Record UNII	5CD4E32DYS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2?-epi-Methylergometrine

Common Name

English

Ergometrine Maleate Impurity I [EP IMPURITY]

Preferred Name

English

(8?)-9,10-Didehydro-N-[(1R)-1-(hydroxymethyl)propyl]-6-methylergoline-8-carboxamide

Systematic Name

English

Ergoline-8-carboxamide, 9,10-didehydro-N-[(1R)-1-(hydroxymethyl)propyl]-6-methyl-, (8?)-

Systematic Name

English

(6aR,9R)-N-[(2R)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Systematic Name

English

(8?)-N-[(2R)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide

Systematic Name

English

Code System Code Type Description

CAS

724767-21-9

Created by admin on Wed Apr 02 17:37:49 GMT 2025 , Edited by admin on Wed Apr 02 17:37:49 GMT 2025

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FDA UNII

5CD4E32DYS

Created by admin on Wed Apr 02 17:37:49 GMT 2025 , Edited by admin on Wed Apr 02 17:37:49 GMT 2025

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PUBCHEM

6713934

Created by admin on Wed Apr 02 17:37:49 GMT 2025 , Edited by admin on Wed Apr 02 17:37:49 GMT 2025

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