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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 of 2′-epi-Methylergometrine

SMILES

[H][C@@]12CC3=CNC4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)N[C@H](CC)CO

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

Approval Year

Name Type Language
2′-epi-Methylergometrine
Common Name English
(8β)-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-, (8β)-
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
(8β)-N-[(2R)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
Systematic Name English
Ergometrine Maleate Impurity H [Ep Impurity]
Common Name English
Code System Code Type Description
CAS
724767-21-9
Created by admin on Sat Dec 16 19:54:10 GMT 2023 , Edited by admin on Sat Dec 16 19:54:10 GMT 2023
PRIMARY
FDA UNII
5CD4E32DYS
Created by admin on Sat Dec 16 19:54:10 GMT 2023 , Edited by admin on Sat Dec 16 19:54:10 GMT 2023
PRIMARY
PUBCHEM
6713934
Created by admin on Sat Dec 16 19:54:10 GMT 2023 , Edited by admin on Sat Dec 16 19:54:10 GMT 2023
PRIMARY