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Product Overview

Product Code

TRC-A549620

CAS Number

81409-74-7

EP Description

Cabergoline EP Impurity A

Product Format

Neat

Molecular Formula

C18 H20 N2 O2

Molecular Weight

296.3636

API Family

Cabergoline

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

(6aR,9R,10aR)-7-(prop-2-enyl)-4,6,6a,7,8,9,10,10a-octahydroindolo(4,3-fg)quinoline-9-carboxylic Acid

CAS Number

81409-74-7

Molecular Formula

C18 H20 N2 O2

Molecular Weight

296.3636

Accurate Mass

296.1525

SMILES

OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1

InChI

InChI=1S/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12-,14-,16-/m1/s1

IUPAC

(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Cabergoline

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6-Allyl-8b-carboxyergoline

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