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4-Hydroxydiclofenac-[13C6]

General Information
Catalog: BLP-002927
CAS: 1189656-64-1
Molecular Formula: C8[13C]6H11Cl2NO3
Molecular Weight: 318.10
Chemical Structure
4-Hydroxydiclofenac-[13C6]
Description 4-Hydroxydiclofenac-[13C6] is the labelled analogue of 4-Hydroxydiclofenac, which is a metabolite of Diclofenac.
Synonyms 4-Hydroxydiclofenac-13C6; 2-[(2,6-Dichloro-4-hydroxyphenyl)amino](benzene-13C6)acetic Acid
IUPAC Name 2-[6-(2,6-dichloro-4-hydroxyanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]acetic acid
Related CAS 64118-84-9 (unlabelled)
Canonical SMILES C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
InChI InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)/i1+1,2+1,3+1,4+1,8+1,12+1
InChI Key KGVXVPRLBMWZLG-OLWCKNASSA-N
Melting Point > 136 °C (dec.)
Purity ≥ 95%; ≥ 93% atom 13C
Solubility Slightly soluble in DMSO, Methanol
Appearance Off-white to Pale Beige Solid
Storage -20 °C under inert atmosphere

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