Product Code

TRC-V760003

CAS Number

1261395-15-6

Product Format

Neat

Molecular Formula

13C C15 D3 H11 F3 N5 O

Molecular Weight

353.322

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Voriconazole-13C3,d3

CAS Number

1261395-15-6

Molecular Formula

13C C15 D3 H11 F3 N5 O

Molecular Weight

353.322

Accurate Mass

353.137

SMILES

[2H][13C]([2H])([2H])[C@@H](c1ncncc1F)[C@](O)(Cn2cncn2)c3ccc(F)cc3F

InChI

InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1/i1+1D3

IUPAC

(2R,3S)-4,4,4-trideuterio-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)(413C)butan-2-ol

SIL Type

Deuterium, Carbon

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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