Product Code

TRC-B230960

CAS Number

701278-13-9

Product Format

Neat

Molecular Formula

C19 H21 N5 O3

Molecular Weight

367.402

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3-Benzyl Entecavir

CAS Number

701278-13-9

Molecular Formula

C19 H21 N5 O3

Molecular Weight

367.402

Accurate Mass

367.164

SMILES

NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[C@@H](COCc4ccccc4)C3=C)c2N1

InChI

InChI=1S/C19H21N5O3/c1-11-13(9-27-8-12-5-3-2-4-6-12)15(25)7-14(11)24-10-21-16-17(24)22-19(20)23-18(16)26/h2-6,10,13-15,25H,1,7-9H2,(H3,20,22,23,26)/t13-,14-,15-/m0/s1

IUPAC

2-amino-9-[(1S,3R,4S)-4-hydroxy-2-methylidene-3-(phenylmethoxymethyl)cyclopentyl]-3H-purin-6-one

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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3-Benzyl Entecavir

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