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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

Ergotamine

Product Type

API

Documentation

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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 Format

Neat

API Family

Ergotamine

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