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Entecavir-[13C2,15N]

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Entecavir-[13C2,15N]

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General Information
Catalog: BLP-012338
CAS: 1329796-53-3
Molecular Formula: C10[13C]2H15N4[15N]O3
Molecular Weight: 280.26

Chemical Structure

Description	Entecavir-[13C2,15N] is the labelled analogue 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.
Synonyms	Entecavir 13C2 15N
Related CAS	142217-69-4 (unlabelled)
Canonical SMILES	C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N
InChI	InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8+/m0/s1/i10+1,11+1,14+1
InChI Key	QDGZDCVAUDNJFG-PUSDEWLCSA-N
Melting Point	>235°C (dec.)
Purity	95% by HPLC; 95% atom 13C; 95% atom 15N
Density	1.8±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-White Solid
Storage	Store at -20°C