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Product Overview

Product Code

TRC-P992183

CAS Number

1353900-92-1

Product Format

Neat

Molecular Formula

C57 H65 F5 N10 O8

Molecular Weight

1113.18

API Family

Pibrentasvir

Product Categories

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

Product Type

API

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Product Information

Chemical Data

Analyte Name

Pibrentasvir

CAS Number

1353900-92-1

Molecular Formula

C57 H65 F5 N10 O8

Molecular Weight

1113.18

Accurate Mass

1112.491

SMILES

CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c2nc3cc([C@H]4CC[C@@H](N4c5cc(F)c(N6CCC(CC6)c7ccc(F)cc7)c(F)c5)c8cc9nc([nH]c9cc8F)[C@@H]%10CCCN%10C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c(F)cc3[nH]2

InChI

InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(

IUPAC

methyl N-[(2S,3R)-1-[(2S)-2-[5-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazol-2

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Pibrentasvir

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