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

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-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Methysergide.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.