3-Benzyl Entecavir
Product Code
TRC-B230960-250MG
CAS Number
Product Format
Neat
Molecular Formula
C19 H21 N5 O3
Molecular Weight
367.402
Product Categories
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