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Chlorzoxazone-[13C,15N,18O]

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General Information
Catalog: BLP-000138
CAS: 1173023-63-6
Molecular Formula: C6[13C]H4Cl[15N]O[18O]
Molecular Weight: 173.55

Chemical Structure

Description	Chlorzoxazone-[13C,15N,18O], is the labelled analogue of Chlorzoxazone, Chlorzoxazone is a muscle-relaxing drug, and a probe for human liver cytochrome P-450IIE1.
Synonyms	Chlorzoxazone-2-13C-3-15N-hydroxyl-18O; 5-Chloro(2-13C,15N)-1,3-benzoxazol-2(3H)-(18O)one
IUPAC Name	5-chloro-3H-1,3-benzoxazol-2-(18O)one
Related CAS	95-25-0 (unlabelled)
Canonical SMILES	C1=CC2=C(C=C1Cl)NC(=O)O2
InChI	InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)/i7+1,9+1,10+2
InChI Key	TZFWDZFKRBELIQ-RNBARAGGSA-N
Melting Point	191-192 °C (lit.)
Purity	97% (CP); 99% atom 13C; 98% atom 15N; 95% atom 18O
Appearance	Solid
Storage	Store at -20°C