IBD Research Resource Center

BioID	bio200513
Name	BROMOCRIPTINE MESYLATE
ChEMBL ID	CHEMBL1200503
Molecular Formula	C33H44BrN5O8S
Molecular Weight	750.71
Molecular Weight (Monoisotopic)	653.2213
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar81
Target Name	None
Synonyms	2-BROMOERGOCRYPTINE MESYLATE\|BROMOCRIPTINE MESILATE\|BROMOCRIPTINE MESYLATE\|BROMOCRIPTINE METHANESULFONATE\|CB-154\|CB-154 MESILATE\|CB-154 MESYLATE\|CYCLOSET\|NSC-755915\|PARLODEL
Smiles	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O
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
Inchi Key	NOJMTMIRQRDZMT-GSPXQYRGSA-N
Molecular Species	NEUTRAL
Targets	79.0
Bioactivities	97.0
Np Likeness Score	1.29
Records Key	['BROMOCRIPTINE MESYLATE', 'SID442420', 'NCGC00093654-01', 'SID50105911', 'SID144213902', 'BROMOCRIPTINE MESYLATE', 'Bromocriptine mesylate', 'BROMOCRIPTINE MESYLATE', 'BROMOCRIPTINE MESYLATE', 'Bromocryptine mesylate']
Records Name	['BROMOCRIPTINE MESYLATE', 'SID442420', '(+)-11 methanesulfonate', 'SID50105911', 'SID144213902', 'BROMOCRIPTINE MESYLATE', 'Bromocriptine mesylate', 'BROMOCRIPTINE MESYLATE', 'BROMOCRIPTINE MESYLATE', 'Bromocryptine mesylate']
Withdrawn Flag	False
Orphan	0