Ergotamine
Product Overview
Product Code
TRC-E599495-25MG
CAS Number
113-15-5
Product Format
Neat
Molecular Formula
C33 H35 N5 O5
Molecular Weight
581.66
API Family
ErgotamineProduct Categories
TRC, Environmental Food Contaminant Reference Materials , Mycotoxin Research and Reference Materials , Hallucinogen Reference Materials
Product Type
APIDocumentation
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Product Information
Chemical Data
Analyte Name
Ergotamine
CAS Number
113-15-5
Molecular Formula
C33 H35 N5 O5
Molecular Weight
581.66
Accurate Mass
581.2638
SMILES
CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O
InChI
InChI=1S/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
Product Data
Storage Temperature
-20°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family
Ergotamine
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