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CHEBI:3181 - bromocriptine

Default Structure
ChEBI IDCHEBI:3181
ChEBI Namebromocriptine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC32H40BrN5O5
Net Charge0
Average Mass654.606
Monoisotopic Mass653.22128
SMILES[H][C@@]12Cc3c(Br)nc4cccc(c34)C1=C[C@@H](C(=O)N[C@]1(C(C)C)O[C@]3(O)N(C1=O)[C@@H](CC(C)C)C(=O)N1CCC[C@]13[H])CN2C
InChIInChI=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
InChIKeyOZVBMTJYIDMWIL-AYFBDAFISA-N
Wikipedia
Roles Classification
Biological Roles:
dopamine agonist  A drug that binds to and activates dopamine receptors.
anti-obesity agent  Any substance which is used to reduce or control weight.
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
appetite enhancer  A drug which increases appetite.
hypoglycemic agent  A drug which lowers the blood glucose level.
dopamine agonist  A drug that binds to and activates dopamine receptors.
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.
ChEBI Ontology
Outgoing Relation(s)
bromocriptine (CHEBI:3181) has parent hydride ergotaman (CHEBI:36185)
bromocriptine (CHEBI:3181) has role anti-obesity agent (CHEBI:74518)
bromocriptine (CHEBI:3181) has role antidyskinesia agent (CHEBI:66956)
bromocriptine (CHEBI:3181) has role antiparkinson drug (CHEBI:48407)
bromocriptine (CHEBI:3181) has role appetite enhancer (CHEBI:50779)
bromocriptine (CHEBI:3181) has role dopamine agonist (CHEBI:51065)
bromocriptine (CHEBI:3181) has role hormone antagonist (CHEBI:49020)
bromocriptine (CHEBI:3181) has role hypoglycemic agent (CHEBI:35526)
bromocriptine (CHEBI:3181) is a indole alkaloid (CHEBI:38958)
Incoming Relation(s)
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  Source
bromocriptinaWHO MedNet
bromocriptineChemIDplus
bromocriptinumChemIDplus
Synonyms  Source
2-bromo-.alpha.-ergocryptineChEMBL
2-bromo-α-ergocryptinePatent
2-bromo-α-ergokryptinChemIDplus
2-bromo-α-ergokryptineChemIDplus
(5'α)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotamanIUPAC
(5'α)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trioneChemIDplus
Manual XrefsDatabases
403DrugCentral
BromocriptineWikipedia
C06856KEGG COMPOUND
D03165KEGG DRUG
DB01200DrugBank
DE1926045Patent
LSM-6550LINCS
US3752814Patent
Registry NumbersSources
Beilstein:741357Beilstein
CAS:25614-03-3ChemIDplus
CAS:25614-03-3KEGG COMPOUND
Citations