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CHEBI:3181 - bromocriptine
| Formula | C32H40BrN5O5 |
| Net Charge | 0 |
| Average Mass | 654.606 |
| Monoisotopic Mass | 653.22128 |
| 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 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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. |
| Applications: | antidyskinesia agent Any compound which can be used to treat or alleviate the symptoms of dyskinesia. 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. antiparkinson drug A drug used in the treatment of Parkinson's disease. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 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 |
|---|---|
| bromocriptine | ChemIDplus |
| bromocriptinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 2-bromo-α-ergocryptine | Patent |
| 2-bromo-α-ergokryptin | ChemIDplus |
| 2-bromo-α-ergokryptine | ChemIDplus |
| (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 |
| Registry Numbers | Sources |
|---|---|
| Beilstein:741357 | Beilstein |
| CAS:25614-03-3 | ChemIDplus |
| CAS:25614-03-3 | KEGG COMPOUND |