Preferred Name |
bromocriptine |
|
Synonyms |
Bromocriptine (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman bromocriptine (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione bromoergocriptine (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman 2-bromo-alpha-ergokryptine bromocriptinum (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman 2-bromo-alpha-ergokryptin 2-bromo-alpha-ergocryptine bromocryptine |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_3181 |
|
charge |
0 |
|
database_cross_reference |
Patent:DE1926045 DrugBank:DB01200 KEGG:C06856 CAS:25614-03-3 Wikipedia:Bromocriptine Beilstein:741357 KEGG:D03165 Patent:US3752814 Drug_Central:403 LINCS:LSM-6550 |
|
formula |
C32H40BrN5O5 |
|
has parent hydride | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_51065 http://purl.obolibrary.org/obo/CHEBI_49020 |
|
has_exact_synonym |
Bromocriptine (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
bromocriptine (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione bromoergocriptine (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman 2-bromo-alpha-ergokryptine bromocriptinum (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman 2-bromo-alpha-ergokryptin 2-bromo-alpha-ergocryptine bromocryptine |
|
id |
CHEBI:3181 |
|
in_subset | ||
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 |
|
label |
bromocriptine |
|
mass |
654.59470 |
|
monoisotopicmass |
653.22128 |
|
notation |
CHEBI:3181 |
|
prefLabel |
bromocriptine |
|
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 |
|
treeView | ||
subClassOf |