Product Code

TRC-H942940

CAS Number

1702668-51-6

Product Format

Neat

Molecular Formula

C14H9ClF3NO6S

Molecular Weight

411.74

Product Categories

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

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

rac 7-Hydroxy Efavirenz 7-O-Sulfate

CAS Number

1702668-51-6

Molecular Formula

C14H9ClF3NO6S

Molecular Weight

411.74

Accurate Mass

410.98

SMILES

ClC1=CC(C(C#CC2CC2)(C(F)(F)F)OC(N3)=O)=C3C=C1OS(=O)(O)=O

InChI

InChI=1S/C14H9ClF3NO6S/c15-9-5-8-10(6-11(9)25-26(21,22)23)19-12(20)24-13(8,14(16,17)18)4-3-7-1-2-7/h5-7H,1-2H2,(H,19,20)(H,21,22,23)

IUPAC

6-chloro-4-(cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl hydrogen sulfate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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rac 7-Hydroxy Efavirenz 7-O-Sulfate

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