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Mitotan-[13C6] metabolite

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General Information
Catalog: BLP-001359
CAS: 1261395-53-2
Molecular Formula: C8[13C]6H10Cl2O2
Molecular Weight: 287.09

Chemical Structure

Description	Mitotan-[13C6] metabolite is a labelled version of Mitotan.
Synonyms	[13C6]-2-Chloro-alpha-(4-chlorophenyl)-; [13C6]-o,p'-DDA; [13C6]-o,p'-Dichlorodiphenylacetic acid
IUPAC Name	2-(4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-(2-chlorophenyl)acetic acid
Related CAS	34113-46-7 (unlabelled)
Canonical SMILES	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(=O)O)Cl
InChI	InChI=1S/C14H10Cl2O2/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13H,(H,17,18)/i5+1,6+1,7+1,8+1,9+1,10+1
InChI Key	DHPZADPFGZNIIV-CYRQOIGNSA-N
Purity	98%; 99% atom 13C
Appearance	White solid