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5-Aminoimidazole-4-carboxamide-[13C2,15N] Hydrochloride Salt

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5-Aminoimidazole-4-carboxamide-[13C2,15N] Hydrochloride Salt

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General Information
Catalog: BLP-009638
CAS: 1246816-45-4
Molecular Formula: C2[13C]2H7ClN3[15N]O
Molecular Weight: 165.56

Chemical Structure

Description	A labelled metabolite of Temozolomide, a medication used for the treatment of some brain tumors.
Synonyms	AICA-13C2,15N; 4-Amino-5-carbamoylimidazole-13C2,15N2 Hydrochloride Salt; 5-Aminoimidazole-4-carboxamide-13C2,15N Hydrochloride Salt; AIC-13C2,15N; Ba 2756-13C2,15N; NSC 7784-13C2,15N
IUPAC Name	4-amino-(4,5-13C2,1-15N)1H-imidazole-5-carboxamide;hydrochloride
Related CAS	72-40-2 (unlabelled) 1246911-85-2 (unlabelled free base)
Isomeric SMILES	C1=N[13C](=[13C]([15NH]1)C(=O)N)N.Cl
Canonical SMILES	C1=NC(=C(N1)C(=O)N)N.Cl
InChI	InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H/i2+1,3+1,7+1;
InChI Key	MXCUYSMIELHIQL-UJQHOCGYSA-N
Melting Point	235-240°C (dec.)
Purity	95%
Solubility	DMSO (Slightly); Methanol (Slightly, Heated)
Appearance	Light Brown to Dark Brown Solid
Storage	Store at -20°C, Under Inert Atmosphere