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Product Overview

Product Code

TRC-D439275

CAS Number

724767-21-9

Product Format

Neat

Molecular Formula

C20 H25 N3 O2

Molecular Weight

339.431

Product Categories

TRC

Product Type

Impurity

Product Information

Analyte Name

1'-epi-Methylergometrine

CAS Number

724767-21-9

Molecular Formula

C20 H25 N3 O2

Molecular Weight

339.431

Accurate Mass

339.195

SMILES

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

InChI

InChI=1S/C20H25N3O2/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/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14-,18-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

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