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Product Overview

Product Code

TRC-A511452

CAS Number

1217825-34-7

Product Format

Neat

Molecular Formula

C20H13D3ClF2N5O2

Molecular Weight

434.84

Product Categories

Additional Neuro Products, TRC, Other antifungals, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

187949-02-6

Documentation

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Product Information

Chemical Data

Analyte Name

Albaconazole-d3

CAS Number

1217825-34-7

Molecular Formula

C20H13D3ClF2N5O2

Molecular Weight

434.84

SMILES

[2H]C([2H])([2H])[C@@H](N1C=Nc2cc(Cl)ccc2C1=O)[C@](O)(Cn3cncn3)c4ccc(F)cc4F

InChI

InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1/i1D3

IUPAC

7-chloro-3-[(2R,3R)-1,1,1-trideuterio-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one

Unlabelled CAS Number

187949-02-6

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A labelled antifungal agent as neuroprotectant.

References: Pujol, I., et al.: J. Antimicrob. Chemother., 39, 163

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