CHEBI:3181 - bromocriptine

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ChEBI Name bromocriptine
ChEBI ID CHEBI:3181
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H40BrN5O5
Net Charge 0
Average Mass 654.59470
Monoisotopic Mass 653.221
InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
InChIKey OZVBMTJYIDMWIL-AYFBDAFISA-N
SMILES [H][C@@]12Cc3c(Br)[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34
Roles Classification
Biological Role(s): hormone antagonist
A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
dopamine agonist
A drug that binds to and activates dopamine receptors.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): hormone antagonist
A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
antiparkinson drug
A drug used in the treatment of Parkinson's disease.
antidyskinesia agent
Any compound which can be used to treat or alleviate the symptoms of dyskinesia.
dopamine agonist
A drug that binds to and activates dopamine receptors.
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ChEBI Ontology
Outgoing bromocriptine (CHEBI:3181) has parent hydride ergotaman (CHEBI:36185)
bromocriptine (CHEBI:3181) has role antidyskinesia agent (CHEBI:66956)
bromocriptine (CHEBI:3181) has role antiparkinson drug (CHEBI:48407)
bromocriptine (CHEBI:3181) has role dopamine agonist (CHEBI:51065)
bromocriptine (CHEBI:3181) has role hormone antagonist (CHEBI:49020)
bromocriptine (CHEBI:3181) is a indole alkaloid (CHEBI:38958)
Incoming bromocriptine methanesulfonate (CHEBI:3182) has part bromocriptine (CHEBI:3181)
IUPAC Name
(5'α)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman
INNs Sources
bromocriptine ChemIDplus
bromocriptinum ChemIDplus
Synonyms Sources
(5'α)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman IUPAC
(5'α)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione ChemIDplus
(5'α)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman IUPAC
2-bromo-α-ergocryptine Patent
2-bromo-α-ergokryptin ChemIDplus
2-bromo-α-ergokryptine ChemIDplus
Bromocriptine KEGG COMPOUND
bromocryptine IUPHAR
bromoergocriptine ChemIDplus
Manual Xrefs Databases
403 DrugCentral
Bromocriptine Wikipedia
C06856 KEGG COMPOUND
D03165 KEGG DRUG
DB01200 DrugBank
DE1926045 Patent
LSM-6550 LINCS
US3752814 Patent
View more database links
Registry Numbers Types Sources
25614-03-3 CAS Registry Number KEGG COMPOUND
25614-03-3 CAS Registry Number ChemIDplus
741357 Beilstein Registry Number Beilstein
Last Modified
22 February 2017