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Product Overview

Product Code

TRC-R074625

CAS Number

142217-79-6

Product Format

Neat

Molecular Formula

C52H47N5O5

Molecular Weight

821.96

Product Categories

TRC

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Entecavir Impurity 2

CAS Number

142217-79-6

Molecular Formula

C52H47N5O5

Molecular Weight

821.96

Accurate Mass

821.3577

SMILES

COc1ccc(cc1)C(Nc2nc(OCc3ccccc3)c4ncn([C@H]5C[C@H](OCc6ccccc6)[C@@H](COCc7ccccc7)C5=O)c4n2)(c8ccccc8)c9ccccc9

InChI

InChI=1S/C52H47N5O5/c1-59-43-29-27-42(28-30-43)52(40-23-13-5-14-24-40,41-25-15-6-16-26-41)56-51-54-49-47(50(55-51)62-34-39-21-11-4-12-22-39)53-36-57(49)45-31-46(61-33-38-19-9-3-10-20-38)44(48(45)58)35-60-32-37-17-7-2-8-18-37/h2-30,36,44-46H,31-35H2,1H3,(H,54,55,56)/t44-,45+,46+/m1/s1

IUPAC

(2R,3S,5S)-3-benzyloxy-5-[6-benzyloxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-2-(benzyloxymethyl)cyclopentanone

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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Chemical Data

Product Data

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(2R,3S,5S)-3-(Benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)-amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanone (>85%)

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