Dihydroergotamine Mesylate
Product Overview
Product Code
TRC-D449080
CAS Number
6190-39-2
Product Format
Neat
Molecular Formula
C33 H37 N5 O5 . C H4 O3 S
Molecular Weight
679.78
API Family
Dihydroergotamine MesylateProduct Categories
TRC, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , API Reference Standards & Research Materials
Product Type
APIAlternate CAS Number
Free base: 511-12-6; Tartrate salt: 5989-77-5
Documentation
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Product Information
Chemical Data
Analyte Name
Dihydroergotamine mesilate
CAS Number
6190-39-2
Molecular Formula
C33 H37 N5 O5 . C H4 O3 S
Molecular Weight
679.78
Accurate Mass
679.2676
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
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);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1
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
Alternate CAS Number
Free base: 511-12-6; Tartrate salt: 5989-77-5
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family
Dihydroergotamine Mesylate
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