Product Code

TRC-D452972

Product Format

Neat

Molecular Formula

C14 D4 H5 Cl F3 N O4

Molecular Weight

351.698

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1702668-54-9

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

rac 7,14-Dihydroxy Efavirenz-d4

Molecular Formula

C14 D4 H5 Cl F3 N O4

Molecular Weight

351.698

Accurate Mass

351.042

SMILES

[2H]C1([2H])C([2H])([2H])C1(O)C#CC2(OC(=O)Nc3cc(O)c(Cl)cc23)C(F)(F)F

InChI

InChI=1S/C14H9ClF3NO4/c15-8-5-7-9(6-10(8)20)19-11(21)23-13(7,14(16,17)18)4-3-12(22)1-2-12/h5-6,20,22H,1-2H2,(H,19,21)/i1D2,2D2

IUPAC

6-chloro-7-hydroxy-4-[2-(2,2,3,3-tetradeuterio-1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Unlabelled CAS Number

1702668-54-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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rac 7,14-Dihydroxy Efavirenz-d4

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