Analyte Name

Chlorocriptine

CAS Number

68944-88-7

Molecular Formula

C32H40ClN5O5

Molecular Weight

610.15

Accurate Mass

609.27

SMILES

[H][C@]12CCCN1C([C@H](N3C([C@@](C(C)C)(NC([C@@H]4CN([C@@](CC5=C(Cl)NC6=C5C7=CC=C6)(C7=C4)[H])C)=O)O[C@]23O)=O)CC(C)C)=O

InChI

InChI=1S/C32H40ClN5O5/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/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m0/s1

IUPAC

(6aR,9R)-5-chloro-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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