Methysergide

Molecule SVG Image

Properties Simple | Detailed

Formula C21H27N3O2
IUPAC Name (6ar,9r)-n-[(1s)-1-(hydroxymethyl)propyl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular Mass 353.458 g·mol−1
Heat of Formation -174.1 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 441.67 Å 3
Surface Area 377.11 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-9,10-didehydro-n-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8beta-carboxamide
  • (+)-n-(1-(hydroxymethyl)propyl)-1-methyl-d-lysergamide
  • (8beta)-n-[(1s)-1-(hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
  • 1-methyl-d-lysergic acid butanolamide
  • 1-methyl-dextro-lysergic acid (+)-1-hydroxy-2-butylamide
  • 1-methyllysergic acid butanolamide
  • 1-methylmethylergonovine
  • 9,10-didehydro-n-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8-carboxamide
  • biomol-nt_000155
  • bpbio1_000486
  • d02357
  • desernil
  • desernyl
  • deseryl
  • ergoline-8-beta-carboxamide, 9,10-didehydro-n-(1-(hydroxymethyl)propyl)-1,6-dimethyl-
  • ergoline-8-carboxamide, 9,10-didehydro-n-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, (8beta)-
  • ergoline-8beta-carboxamide, 9,10-didehydro-n-(1-(hydroxymethyl)propyl)-1,6-dimethyl-
  • lysergamide, n-(1-(hydroxymethyl)propyl)-1-methyl-, d-
  • methyllysergic acid butanolamide
  • methysergid
  • methysergide (usan)
  • metisergide [dcit]
  • n-(1-(hydroxymethyl)propyl)-1-methyl-dextro-(+)-lysergamide
  • n-(alpha-(hydroxymethyl)propyl)-1-methyl-dextro-lysergamide
  • uml 491
CAS Number(s)
  • 361-37-5
  • 156558-44-0
  • 2016-33-3
  • 29987-97-1
  • 47478-64-8
  • 746-51-0
InChIKey KPJZHOPZRAFDTN-ZRGWGRIASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N