Products 701278-13-9

CAS 701278-13-9 is the registry number for 3-Benzyl Entecavir. Offered by: TRC. Available pack sizes: 250mg.

3-Benzyl Entecavir
TRC
  • size: 250mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

2-amino-9-[(1S,3R,4S)-4-hydroxy-2-methylidene-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one (CAS 701278-13-9) is a chemical compound with the molecular formula C19H21N5O3 and a molecular weight of 367.4 g/mol. IUPAC name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-2-methylidene-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one. InChIKey: LHPHZZBSRXNYEJ-KKUMJFAQSA-N.

Identity
Molecular formulaC19H21N5O3
Molecular weight367.4 g/mol
IUPAC name2-amino-9-[(1S,3R,4S)-4-hydroxy-2-methylidene-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
InChIKeyLHPHZZBSRXNYEJ-KKUMJFAQSA-N
SMILESC=C1[C@H](C[C@@H]([C@H]1COCC2=CC=CC=C2)O)N3C=NC4=C3N=C(NC4=O)N

Computed by PubChem (NCBI)

Synonyms: 3-Benzyl Entecavir, Entecavir Impurity 75
Isomers (same molecular formula)
2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide C19H21N5O3
ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate C19H21N5O3
2-amino-9-[(1S,3R,4S)-3-(hydroxymethyl)-2-methylidene-4-phenylmethoxycyclopentyl]-1H-purin-6-one C19H21N5O3