CHEBI:3182 - bromocriptine methanesulfonate

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ChEBI Name bromocriptine methanesulfonate
ChEBI ID CHEBI:3182
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C32H40BrN5O5.CH4O3S
C33H44BrN5O8S
Net Charge 0
Average Mass 750.70136
Monoisotopic Mass 749.20940
InChI InChI=1S/C32H40BrN5O5.CH4O3S/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;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1
InChIKey NOJMTMIRQRDZMT-GSPXQYRGSA-N
SMILES CS(O)(=O)=O.[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
Roles Classification
Application(s): antiparkinson drug
A drug used in the treatment of Parkinson's disease.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bromocriptine methanesulfonate (CHEBI:3182) has part bromocriptine (CHEBI:3181)
bromocriptine methanesulfonate (CHEBI:3182) has role antiparkinson drug (CHEBI:48407)
bromocriptine methanesulfonate (CHEBI:3182) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name
(5'α)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman methanesulfonate
Synonyms Sources
(5'α)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate IUPAC
2-bromo-α-ergocryptine mesylate ChemIDplus
bromocriptine mesilate KEGG DRUG
bromocriptine mesylate ChemIDplus
Brand Names Sources
Parlodel KEGG DRUG
Pravidel ChemIDplus
Manual Xref Database
D00780 KEGG DRUG
View more database links
Registry Numbers Types Sources
22260-51-1 CAS Registry Number ChemIDplus
6048116 Beilstein Registry Number Beilstein
Last Modified
21 February 2008