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Mitotan-[13C6] metabolite

General Information
Catalog: BLP-001359
CAS: 1261395-53-2
Molecular Formula: C8[13C]6H10Cl2O2
Molecular Weight: 287.09
Chemical Structure
Mitotan-[13C6] metabolite
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

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