OntologiesprideclassesCHEBI:3182   
JSON document
bromocriptine methanesulfonateImported
http://purl.obolibrary.org/obo/CHEBI_3182
Defined bychebi
Also appears inslmefo
Exact Synonyms
(5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman methanesulfonate
Related Synonyms
(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate
2-bromo-alpha-ergocryptine mesylate
bromocriptine mesilate
bromocriptine mesylate
Parlodel
Pravidel
class Information
charge

0

formula
  • C32H40BrN5O5.CH4O3S
  • C33H44BrN5O8S
has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

750.70136

monoisotopicmass

749.20940

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

class Relations