Product Code

TRC-E976750

CAS Number

868046-19-9

Product Format

Neat

Molecular Formula

C24 H17 Br Cl2 F N3 O5 S

Molecular Weight

629.282

Product Categories

TRC, 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

Elsulfavirine

CAS Number

868046-19-9

Molecular Formula

C24 H17 Br Cl2 F N3 O5 S

Molecular Weight

629.282

Accurate Mass

626.943

SMILES

CCC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F)c(Cl)c1

InChI

InChI=1S/C24H17BrCl2FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)

IUPAC

N-[4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-chlorophenyl]sulfonylpropanamide

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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