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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: | 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | 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. 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. |
| 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 |