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Product Overview

Product Code

TRC-D494422

CAS Number

940867-25-4

Product Format

Neat

Molecular Formula

C43 D9 H44 N O14

Molecular Weight

816.93

API Family

Docetaxel

Product Categories

TRC, Chiral Molecules , Enzyme inhibitors, API Reference Standards & Research Materials, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, API

Alternate CAS Number

148408-66-6

Unlabelled CAS Number

700367-34-6

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

d9-Docetaxel

CAS Number

940867-25-4

Molecular Formula

C43 D9 H44 N O14

Molecular Weight

816.93

Accurate Mass

816.4031

SMILES

[2H]C([2H])([2H])C(OC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1/i3D3,4D3,5D3

Alternate CAS Number

148408-66-6

Unlabelled CAS Number

700367-34-6

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

API Family

Docetaxel

Purity

>95% (HPLC)

Product Description

A labelled semisynthetic derivative of Paclitaxel. An antimitotic agent that promotes the assembly of micro-tubules and inhibits their de-polymerization to free tubulin. An antineoplastic.

References: Ringel, I., et al.: J. Natl. Cancer Inst., 83, 288 (1991), Extra, J.-M., et al.: Cancer Res., 53, 1037 (1993)

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Docetaxel-d9

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