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Product Overview

Product Code

TRC-M304600

CAS Number

57432-61-8

Product Format

Neat

Molecular Formula

C20 H25 N3 O2 . C4 H4 O4

Molecular Weight

455.50

API Family

Dihydroergotamine Mesylate, Methylergometrine

Product Categories

TRC, Alkaloids, API Reference Standards & Research Materials, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite, Bioactive Small Molecule, API

Alternate CAS Number

113-42-8

Documentation

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Product Information

Chemical Data

Analyte Name

Methylergometrine maleate

CAS Number

57432-61-8

Molecular Formula

C20 H25 N3 O2 . C4 H4 O4

Molecular Weight

455.50

Accurate Mass

455.2056

SMILES

CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(=O)\C=C/C(=O)O

InChI

InChI=1S/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1

IUPAC

(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid

Alternate CAS Number

113-42-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Metabolite

Product Format

Neat

API Family

Dihydroergotamine Mesylate; Methylergometrine

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Product Overview

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Chemical Data

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Methyl Ergonovine Maleate Salt

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