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Product Overview

Product Code

TRC-C360045

Product Format

Neat

Molecular Formula

C27H20Cl2F6N2O3

Molecular Weight

605.36

Product Categories

TRC, Anti-HIV agents, Impurity Reference Materials

Documentation

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Product Information

Chemical Data

Analyte Name

(4S)-6-Chloro-4-(3-((4-chloro-2-((S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)phenyl)amino)pent-1-yn-1-yl)-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one (Mixture of Diastereomers)

Molecular Formula

C27H20Cl2F6N2O3

Molecular Weight

605.36

Accurate Mass

604.08

SMILES

ClC1=CC2=C(NC(OC2(C#CC(CC)NC3=C([C@@](C#CC4CC4)(C(F)(F)F)O)C=C(Cl)C=C3)C(F)(F)F)=O)C=C1

InChI

InChI=1S/C27H20Cl2F6N2O3/c1-2-18(10-12-25(27(33,34)35)20-14-17(29)6-8-22(20)37-23(38)40-25)36-21-7-5-16(28)13-19(21)24(39,26(30,31)32)11-9-15-3-4-15/h5-8,13-15,18,36,39H,2-4H2,1H3,(H,37,38)/t18?,24-,25-/m0/s1

IUPAC

6-chloro-4-[3-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]anilino]pent-1-ynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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(4S)-6-Chloro-4-(3-((4-chloro-2-((S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)phenyl)amino)pent-1-yn-1-yl)-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one (Mixture of Diastereomers)

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