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6-Hydroxy Chlorzoxazone-[13C6]

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General Information
Catalog: BLP-000970
CAS: 475295-90-0
Molecular Formula: C[13C]6H4ClNO3
Molecular Weight: 191.52

Chemical Structure

Description	6-Hydroxychlorzoxazone-[13C6] is the labelled analogue of 6-Hydroxychlorzoxazone, which is a major metabolite of chlorzoxazone. Formed by the actions of cytochrome P450IIE1.
Synonyms	[13C6]-6-Hydroxychlorzoxazone; 5-Chloro-6-Hydroxy-3H-1,3-Benzoxazol-2-One-13C6; 5-Chloro-6-hydroxy-2(3H)-benzoxazolone-13C6; 6-Hydroxy Chlorzoxazone-13C6
IUPAC Name	5-chloro-6-hydroxybenzo[d]oxazol-2(3H)-one-3a,4,5,6,7,7a-13C6
Related CAS	1750-45-4 (unlabelled)
Canonical SMILES	C1=C2C(=CC(=C1Cl)O)OC(=O)N2
InChI	InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	AGLXDWOTVQZHIQ-IDEBNGHGSA-N
Melting Point	241-243 °C (dec.)
Purity	97%; ≥98% atom 13C
Solubility	Slightly soluble in Methanol
Appearance	White to Off-white Solid
Storage	-20 °C