Methylergonovine

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Systematic / IUPAC Name: N-(1-Hydroxy-2-butanyl)-6-methyl-9,10-didehydroergoline-8-carboxamide

ID: Reference7328

Other Names: Methergin ;
Methergine ;
9,10-Didehydro-N-(α-(hydroxymethyl)propyl)-6-methyl-ergoline-8-β-carboxamide;
Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-6-methyl-

Formula: C20H25N3O2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Methylergonovine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 197
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/5/2018 10:02:53 AM
View Mass Spec Data > >

Identificators

InChI 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)
InChI Key UNBRKDKAWYKMIV-UHFFFAOYSA-N
Canonical SMILES CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
CAS
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Other Names Methergin ;
Methergine ;
9,10-Didehydro-N-(α-(hydroxymethyl)propyl)-6-methyl-ergoline-8-β-carboxamide;
Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-6-methyl-

In Other Databases

ChEMBL CHEMBL1597692
ChemSpider 3997
PubChem 4140