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Product Overview

Product Code

TRC-E558935

CAS Number

1367369-76-3

Product Format

Neat

Molecular Formula

C12 H15 N5 O3

Molecular Weight

277.28

API Family

Entecavir

Product Categories

TRC, Impurity Reference Materials , Bioactive small molecules, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

(1'R,3'R,4'R)-Entecavir

CAS Number

1367369-76-3

Molecular Formula

C12 H15 N5 O3

Molecular Weight

277.28

Accurate Mass

277.1175

SMILES

NC1=Nc2c(ncn2[C@@H]3C[C@@H](O)[C@@H](CO)C3=C)C(=O)N1

InChI

InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8+/m0/s1

IUPAC

2-amino-9-[(1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Entecavir

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