Analyte Name

Bromocriptine 2-Methylbutyl Analogue

CAS Number

157135-98-3

Molecular Formula

C33 H42 Br N5 O5

Molecular Weight

668.621

Accurate Mass

667.237

SMILES

CCC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C

InChI

InChI=1S/C33H42BrN5O5/c1-6-18(4)13-25-30(41)38-12-8-11-26(38)33(43)39(25)31(42)32(44-33,17(2)3)36-29(40)19-14-21-20-9-7-10-23-27(20)22(28(34)35-23)15-24(21)37(5)16-19/h7,9-10,14,17-19,24-26,35,43H,6,8,11-13,15-16H2,1-5H3,(H,36,40)/t18?,19-,24-,25+,26+,32-,33+/m1/s1

IUPAC

(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylbutyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat