Analyte Name

2-Bromo-beta-alpha-ergoannine

CAS Number

157135-99-4

Molecular Formula

C33H42BrN5O5

Molecular Weight

668.62

SMILES

O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC(C)C)C(C)CC)C4C=C5C=6C=CC=C7NC(Br)=C(C76)CC5N(C)C4

InChI

InChI=1S/C33H42BrN5O5/c1-6-18(4)32(31(42)39-25(13-17(2)3)30(41)38-12-8-11-26(38)33(39,43)44-32)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)

IUPAC

5-bromo-N-[4-butan-2-yl-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-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

Country of Origin

CANADA

Product Format

Neat