Analyte Name

4-Phenylmethoxy Entecavir

CAS Number

1030919-51-7

Molecular Formula

C19 H21 N5 O3

Molecular Weight

367.402

Accurate Mass

367.164

SMILES

NC1=Nc2c(ncn2[C@H]3C[C@H](OCc4ccccc4)[C@@H](CO)C3=C)C(=O)N1

InChI

InChI=1S/C19H21N5O3/c1-11-13(8-25)15(27-9-12-5-3-2-4-6-12)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)-3-(hydroxymethyl)-2-methylidene-4-phenylmethoxycyclopentyl]-1H-purin-6-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat