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Product Overview

Product Code

TRC-D494425

CAS Number

154044-57-2

Product Format

Neat

Molecular Formula

C43 H53 N O15

Molecular Weight

823.88

API Family

Docetaxel

Product Categories

TRC, Enzyme activators, Impurity Reference Materials

Product Type

Metabolite, Contaminant

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Product Information

Chemical Data

Analyte Name

Docetaxel hydroxy tert-Butylcarbamate

CAS Number

154044-57-2

Molecular Formula

C43 H53 N O15

Molecular Weight

823.88

Accurate Mass

823.3415

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CO)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

InChI

InChI=1S/C43H53NO15/c1-22-26(56-37(52)32(49)30(24-14-10-8-11-15-24)44-38(53)59-39(3,4)20-45)19-43(54)35(57-36(51)25-16-12-9-13-17-25)33-41(7,34(50)31(48)29(22)40(43,5)6)27(47)18-28-42(33,21-55-28)58-23(2)46/h8-17,26-28,30-33,35,45,47-49,54H,18-21H2,1-7H3,(H,44,53)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Docetaxel

Product Description

The main metabolite of Docetaxel (D494420), an antineoplastic.

References: Commercon, A., et al.: Tetrahedron, 50, 34, 10289 (1994)

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Docetaxel Hydroxy tert-Butylcarbamate

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