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3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole-[13C2,15N] Acetate

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General Information
Catalog: BLP-007812
CAS: 1217002-93-1
Molecular Formula: C13[13C]2H17N2[15N]O2
Molecular Weight: 274.29

Chemical Structure

Description	3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole-[13C2,15N] Acetate is a labelled form of 3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole Acetate. Trp-P-1 is a mutagen found in broiled fish, fried beef and commercial beef extracts.
Synonyms	4-(13C)methyl-1-methyl(3-13C)-5H-pyrido[4,3-b]indol-3-(15N)amine acetic acid; 1,4-Dimethyl-5H-pyrido[4,3-b]indol-3-amine-13C2,15N Monoacetate; TRP-P-1-13C2,15N Acetate
IUPAC Name	acetic acid;1-methyl-4-(1-13C)methyl-5H-(6-13C)pyridino[4,3-b]indol-3-(15N)amine
Related CAS	68808-54-8 (unlabelled)
Isomeric SMILES	CC1=C2C3=CC=CC=C3NC2=C([13C](=N1)[15NH2])[13CH3].CC(=O)O
Canonical SMILES	CC1=C2C(=C(N=C1N)C)C3=CC=CC=C3N2.CC(=O)O
InChI	InChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)/i1+1,13+1,14+1;
InChI Key	UXNRBAJNAWIPGF-PBLHTNPHSA-N
Melting Point	>187°C (dec.)
Purity	>98%
Solubility	Soluble in Methanol, Water
Appearance	Beige Solid
Storage	Hygroscopic, Store at -20°C, Under inert atmosphere