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Product Overview

Product Code

TRC-E888075

CAS Number

2998-57-4

Product Format

Neat

Molecular Formula

C23 H31 Cl2 N O3

Molecular Weight

440.40

API Family

Estramustine Sodium Phosphate

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Estramustine

CAS Number

2998-57-4

Molecular Formula

C23 H31 Cl2 N O3

Molecular Weight

440.40

Accurate Mass

439.1681

SMILES

C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2O

InChI

InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1

IUPAC

[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Estramustine Sodium Phosphate

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Estramustine

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