Dihydro-ergotoxine Methanesulfonate

Analyte Name

Codergocrine Mesylate

CAS Number

8067-24-1

Molecular Formula

C₃₂H₄₅N₅O₈S(R=CH(CH₃)₂), C₃₆H₄₅N₅O₈S(R=CH₂Ph), C ₃₄H₄₇N₅O₈S (R=CH₂CH(CH₃)₂, or CH(CH₃)CH₂CH₃)

Molecular Weight

2053.46

Accurate Mass

2713.2268

InChI

InChI=1S/C31H41N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,21?,23-,24-,26-,30+,31-;/m1./s1

IUPAC

(6aR,9R)-N-((2R,5S,10aS,10bS)-10b-hydroxy-2,5-diisopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Dihydro-ergotoxine Methanesulfonate