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Entecavir Impurity 2

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Category Antiviral intermediates
CAS 142217-79-6
Description An impurity of Entecavir. Entecavir is a reverse transcriptase inhibitor. It prevents the hepatitis B virus from multiplying and reduces the amount of virus in the body.
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Product Information

Synonyms (2R,3S,5S)-3-(Benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(benzyloxy)-9H-purin-9-yl]-2-(benzyloxymethyl)cyclopentanone
IUPAC Name (2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-one
Molecular Weight 821.98
Molecular Formula C52H47N5O5
Canonical SMILES COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5C7CC(C(C7=O)COCC8=CC=CC=C8)OCC9=CC=CC=C9
Purity > 95%
Density 1.2±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance White Solid
Storage Store at -20°C
Complexity 1320
Exact Mass 823.373352
Index Of Refraction 1.646
PSA 112.78000
XLogP3-AA 9.7

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