loading...| Preferred Name |
cabergoline |
|
| Synonyms |
Cabergoline (8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide 1-((6-allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide 1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea cabergolinum cabergolina (8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide cabergoline 1-ethyl-3-(3'-dimethylamionpropyl)-2-(6'-allylergoline-8'beta-carbonyl)urea |
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| Definitions |
An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3286 |
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| charge |
0 |
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| database_cross_reference |
DrugBank:DB00248 PMID:23110560 PMID:22740242 Beilstein:6020775 Wikipedia:Cabergoline HMDB:HMDB0014393 VSDB:1830 PMID:22336848 PMID:22075008 Patent:US4526892 KEGG:C08187 LINCS:LSM-3939 Patent:BE888243 CAS:81409-90-7 KEGG:D00987 Drug_Central:460 PMID:23743769 |
|
| definition |
An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. |
|
| formula |
C26H37N5O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
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| has_exact_synonym |
Cabergoline (8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1-((6-allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide 1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea cabergolinum cabergolina (8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide cabergoline 1-ethyl-3-(3'-dimethylamionpropyl)-2-(6'-allylergoline-8'beta-carbonyl)urea |
|
| id |
CHEBI:3286 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1 |
|
| inchikey |
KORNTPPJEAJQIU-KJXAQDMKSA-N |
|
| label |
cabergoline |
|
| mass |
451.60430 |
|
| monoisotopicmass |
451.29473 |
|
| notation |
CHEBI:3286 |
|
| prefLabel |
cabergoline |
|
| smiles |
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC |
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| treeView | ||
| subClassOf |