Defined bychebi
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_dbxref
- Beilstein:6048116
- CAS:22260-51-1
- KEGG:D00780
- NCIt:C317
- NCIt:C51181
- SNOMEDCT:272784002
- SNOMEDCT:46293006
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
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
Subclass of