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4-Chloro Kynurenine-[13C2,15N]

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General Information
Catalog: BLP-002867
CAS: 1391051-72-1
Molecular Formula: C8[13C]2H11ClN[15N]O3
Molecular Weight: 245.64

Chemical Structure

Description	4-Chloro Kynurenine-[13C2,15N] is the labelled analogue of L-4-Chlorokynurenine. L-4-Chlorokynurenine is a candidate oral active small molecule prodrug, which produces a glycine-binding NMDA receptor antagonist in vivo.
Synonyms	4-Chloro Kynurenine-13C2,15N; α,2-Diamino-4-chloro-γ-oxobenzenebutanoic Acid-13C2,15N; (+/-)-α,2-Diamino-4-chloro-γ-oxobenzenebutanoic Acid-13C2,15N; 4-Cl-KYN-13C2,15N; (+/-)-AV-101-13C2,15N
IUPAC Name	4-(2-amino-4-chlorophenyl)-2-(15N)azanyl-4-oxo(1,2-13C2)butanoic acid
Related CAS	75802-84-5 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1Cl)N)C(=O)CC(C(=O)O)N
InChI	InChI=1S/C10H11ClN2O3/c11-5-1-2-6(7(12)3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)/i8+1,10+1,13+1
InChI Key	HQLHZNDJQSRKDT-SVKOXWCPSA-N
Melting Point	> 195 °C (dec.)
Purity	98%; ≥ 98% atom 13C, ≥ 98% atom 15N
Solubility	Slightly soluble in Aqueous Acid
Appearance	Pale Yellow Solid
Storage	-20 °C under inert atmosphere