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Product Overview

Product Code

TRC-D229505

CAS Number

86153-38-0

Product Format

Neat

Molecular Formula

C20 H23 N O2

Molecular Weight

309.40

API Family

Dienogest

Product Categories

Impurity Reference Materials , TRC

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

(3,17-Dihydroxyestra-1,3,5(10),9(11)-tetraen-17alpha-yl)acetonitrile

CAS Number

86153-38-0

Molecular Formula

C20 H23 N O2

Molecular Weight

309.40

Accurate Mass

309.1729

SMILES

C[C@]12CC=C3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CC#N

InChI

InChI=1S/C20H23NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5-6,12,17-18,22-23H,2,4,7-10H2,1H3/t17-,18+,19+,20-/m1/s1

IUPAC

2-[(8S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Dienogest

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Product Overview

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Chemical Data

Product Data

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∆9,11-Dehydro-17Alpha-cyanomethyl Estradiol

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