6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine

CAS NO.：142217-80-9
Empirical Formula: C53H49N5O4
Molecular Weight: 819.99
MDL number: MFCD09750979
EINECS: 1806241-263-5
SAFETY DATA SHEET (SDS)
Update Date: 2024-06-06 14:00:01

What is 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine?

Chemical properties

White powder

Definition

6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine is also known as Entecavir Impurity 3. Entecavir belongs to the family of medicines called antivirals. Entecavir is used to treat liver infections caused by hepatitis B virus.

Properties of 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine

Density	1.19
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
pka	3.08±0.30(Predicted)
CAS DataBase Reference	142217-80-9(CAS DataBase Reference)

Safety information for 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02
GHS Hazard Statements	H228:Flammable solids
Precautionary Statement Codes	P403:Store in a well-ventilated place.

Computed Descriptors for 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine

InChIKey	OXHGMTPGAFKZHK-QQVWZEJNSA-N
SMILES	N1C2C(=NC(NC(C3=CC=C(OC)C=C3)(C3=CC=CC=C3)C3=CC=CC=C3)=NC=2OCC2=CC=CC=C2)N([C@H]2C[C@H](OCC3=CC=CC=C3)[C@@H](COCC3=CC=CC=C3)C2=C)C=1

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