Molecular Identity
Bromocriptine
(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-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
PubChem CID: 31101
Bromocriptine is an indole alkaloid. It has a role as an antiparkinson drug, a hormone antagonist, a dopamine agonist and an antidyskinesia agent. It derives from a hydride of an ergotaman.
2D Structure
Properties
C32H40BrN5O5
Molecular Formula
654.60
Molecular Weight
g/mol
653.2213
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
118
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
1230
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)OIsomeric SMILES
SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)OSynonyms(20)
bromocriptine25614-03-3BromoergocryptineBromocriptinBromoergocriptineBromergocryptine2-Bromo-alpha-ergocryptineBromocriptina2-Bromo-alpha-ergokryptin2-Bromo-alpha-ergokryptineBromocriptinumErgosetErgocryptine, 2-bromo-2-BromoergocryptineDTXSID1022687
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bromocriptine
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