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AGN 193109-[d7]

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General Information
Catalog: BLP-011768
CAS: 1216429-25-2
Molecular Formula: C28H17D7O2
Molecular Weight: 399.53

Chemical Structure

Description	AGN 193109-[d7] is the labelled analogue of AGN 193109, which is a retinoic acid receptor (RAR) antagonist used for treating chemotherapy and radiation therapy side effects.
Synonyms	AGN 193109 D7; 4-[2-[5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl-d7)-2-naphthalenyl]ethynyl]benzoic Acid; CD 3106-d7; AGN-193109-d7
IUPAC Name	4-[2-[5,5-dimethyl-8-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6H-naphthalen-2-yl]ethynyl]benzoic acid
Related CAS	171746-21-7 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C
InChI	InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)/i1D3,4D,5D,11D,12D
InChI Key	NCEQLLNVRRTCKJ-KPYMRHKVSA-N
Melting Point	>212°C (dec.)
Purity	98%; ≥98% atom D
Solubility	Soluble in DMSO, Methanol (Sparingly)
Appearance	Off-white Solid
Storage	Store at -20°C