Chemical Properties of Methysergide (CAS 361-37-5)

Methysergide

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InChI
InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)
InChI Key
KPJZHOPZRAFDTN-UHFFFAOYSA-N
Formula
C21H27N3O2
SMILES
CCC(CO)NC(=O)C1C=C2c3cccc4c3c(cn4C)CC2N(C)C1
Molecular Weight1
353.46
CAS
361-37-5
Other Names
  • Ergoline-8-carboxamide, 9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8«beta»)-
  • Ergoline-8«beta»-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-
  • Deseril
  • Desernyl
  • Deseryl
  • Methyllysergic acid butanolamide
  • Methysergid
  • (+)-N-[1-(Hydroxymethyl)propyl]-1-methyllysergamide, (D)
  • UML 491
  • 1-Methyl-d-Lysergic acid butanolamide
  • 1-Methyllysergic acid butanolamide
  • Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-, [8«beta»(S)]-
  • (+)-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8«beta»-carboxamide
  • (+)-N-[1-(Hydroxymethyl)propyl]-1-methyl-D-lysergamide
  • Lysergamide, N-(1-(hydroxymethyl)propyl)-1-methyl-, D-
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Physical Properties

Property Value Unit Source
log10WS -6.11 Crippen Calculated Property
logPoct/wat 1.935 Crippen Calculated Property
McVol 279.190 ml/mol McGowan Calculated Property
Inp 3089.00 NIST

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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