Ergokryptine

N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Also Known As: alpha-Ergocryptine|Ergocryptine|Ergokryptine|ergocriptine|ergokryptin|alpha-Ergokryptine|Ergocryptine-alpha|.alpha.-Ergocryptine|.alpha.-Ergokryptine|Ergocryptine mesylate|Bromocriptine EP Impurity B|EINECS 208-121-2|SMP2_000196|4-25-00-00964 (Beilstein Handbook Reference)|12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione|12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman|12'-Hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotaman-3',6',18-trione|12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman #|(5'.alpha.)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione|(8alpha)-12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione|12'-Hydroxy-2'-(1-methylethyl)-5'-.alpha.-(2-methylpropyl)ergotaman-3',6',18-trione|Ergotaman-3',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'.alpha.)-|Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'.alpha.)-|Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-|N-(2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide

Molecular Formula	C32H41N5O5
Molecular Weight	575.3108 g/mol
LogP	2.43
Topological Polar Surface Area	118.21 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	575.3108
Heavy Atoms	42
Complexity	1513.7

Chemical Identifiers

CAS Number	511-09-1
SMILES	CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O