Product Code

TRC-H942950

CAS Number

178306-49-5

Product Format

Neat

Molecular Formula

C14H9ClF3NO6S

Molecular Weight

411.74

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

8-Hydroxy Efavirenz 8-O-Sulfate

CAS Number

178306-49-5

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(OSOOO)=C1

InChI

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

IUPAC

(S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-8-((trioxidaneylthio)oxy)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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8-Hydroxy Efavirenz 8-O-Sulfate

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