Dihydroergotamine for peak identification CRS

Nombre del analito

Dihydroergotamine mesilate

Número CAS

6190-39-2

Fórmula molecular

C33 H37 N5 O5 . C H4 O3 S

Peso molecular

679.78

Masa exacta

679.2676

Punto de inflamabilidad

5.0

SMILES

CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.CS(=O)(=O)O

InChI

1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+, /m1./s1, InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32, 1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)

IUPAC

(6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-Benzyl-10b-hydroxy-2-methyl-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 methanesulfonate

Alternar número CAS

Free base: 511-12-6; Tartrate salt: 5989-77-5

Temperatura de almacenamiento

2-8C Fridge/Coldroom

Temperatura de envío

Room Temperature

País de origen

FRANCE

Código arancelario

29396900

Tipo de producto

Other

Formato del producto

Mixture

Familia API

Dihydroergotamine Mesilate