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Entecavir-[13C3,15N] Hydrochloride

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Entecavir-[13C3,15N] Hydrochloride

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General Information
Catalog: BLP-005311
Molecular Formula: C9[13C]3H16ClN4[15N]O3
Molecular Weight: 317.71

Chemical Structure

Synonyms	Entecavir Hydrochloride 13C3 15N
IUPAC Name	2-amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one-4,5-13C2-7-15N hydrochloride
Related CAS	911196-94-6 (unlabelled)
Canonical SMILES	C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N.Cl
InChI	InChI=1S/C12H15N5O3.ClH/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);1H/t6-,7-,8-;/m0./s1/i9+1,10+1,11+1,14+1;
InChI Key	QLPDRYGCUJBSRJ-PADAUHKBSA-N
Solubility	Soluble in Methanol
Storage	Store at -20°C, Under inert atmosphere