General Information of the Compound
| Compound ID |
CP0047294
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ERGONOVINE
Show/Hide
|
||||||||||||||||||
| 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]
Ergonovine
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
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23N3O2
|
||||||||||||||||||
| Molecular Weight |
325.412
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show/Hide
|
||||||||||||||||||
| 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
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVVSZNPYNCNODU-XTQGRXLLSA-N
|
||||||||||||||||||
| CAS |
60-79-7
11002-48-5
78207-83-7
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound