Drug Information

General Information
Drug ID
DR00598
Drug Name
Ergonovine
Synonyms
9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide; 9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide; Basergin; D-Lysergic acid 1-hydroxymethylethylamide; D-Lysergic acid-L-propanolamide; Ergobasin; Ergobasine; Ergoklinine; Ergometrin; Ergometrina; Ergometrina [INN-Spanish]; Ergometrine; Ergometrine (INN); Ergometrine [INN:BAN]; Ergometrinum; Ergometrinum[INN-Latin]; Ergostetrine; Ergotocine; Ergotrate; Ergotrate Maleate; L-Lysergic-L(beta-hydroxyisopropylamide); Lysergic acid propanolamide; Margonovine; N-(1-(Hydroxymethyl)ethyl)-D-lysergamide; N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide; N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide; N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide; Neofemergen; Secacornin; Secometrin; [8beta(S)]-9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide
Drug Type
Small molecular drug
Therapeutic Class
Oxytocics
Structure
3D MOL 2D MOL
Formula
C19H23N3O2
Canonical SMILES
CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI
InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1
InChIKey
WVVSZNPYNCNODU-XTQGRXLLSA-N
CAS Number
CAS 60-79-7
Pharmaceutical Properties Molecular Weight 325.4 Topological Polar Surface Area 68.4
Heavy Atom Count 24 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
XLogP
1.8
PubChem CID
443884
PubChem SID
103346479 ,104630924 ,124558742 ,124882896 ,134224213 ,134337542 ,134970548 ,135650238 ,136290435 ,137002473 ,141839365 ,144205575 ,15025041 ,160870074 ,160964585 ,17182857 ,175268027 ,179230507 ,226457497 ,241108708 ,241201451 ,242083485 ,252215367 ,252348890 ,36887065 ,46506922 ,48334665 ,48483985 ,49965408 ,50276154 ,57404547 ,96024601 ,9746 ,99313644
TTD Drug ID
D0C1IW

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