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Product Overview

Product Code

TRC-D101505

CAS Number

1009119-65-6

Product Format

Neat

Molecular Formula

C40 H50 N8 O6 . 2 H Cl

Molecular Weight

811.8

API Family

Daclatasvir Dihydrochloride

Product Categories

TRC, Anti-Hepatitis agents, Antivirals and antiretrovirals, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Daclatasvir Dihydrochloride

CAS Number

1009119-65-6

Molecular Formula

C40 H50 N8 O6 . 2 H Cl

Molecular Weight

811.8

Accurate Mass

810.3387

SMILES

Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2nc(c[nH]2)c3ccc(cc3)c4ccc(cc4)c5c[nH]c(n5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C

InChI

InChI=1S/C40H50N8O6.2ClH/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6;;/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52);2*1H/t31-,32-,33-,34-;;/m0../s1

IUPAC

methyl N-[(1S)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate;hydrochloride

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Daclatasvir Dihydrochloride

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