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AGN 193109 Ethyl Ester-[d7]

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General Information
Catalog: BLP-010674
CAS: 1246815-93-9
Molecular Formula: C30H21D7O2
Molecular Weight: 427.59

Chemical Structure

Description	AGN 193109 Ethyl Ester-[d7] is the labelled analogue of AGN 193109 Ethyl Ester, which is a precursor to AGN 193109.
Synonyms	AGN 193109-d7 Ethyl Ester; 4-[2-[5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl-d7)-2-naphthalenyl]ethynyl]benzoic Acid Ethyl Ester
IUPAC Name	ethyl 4-[2-[5,5-dimethyl-8-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6H-naphthalen-2-yl]ethynyl]benzoate
Related CAS	171568-43-7 (unlabelled)
Canonical SMILES	CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=C(C=C4)C)(C)C
InChI	InChI=1S/C30H28O2/c1-5-32-29(31)25-15-10-22(11-16-25)8-9-23-12-17-28-27(20-23)26(18-19-30(28,3)4)24-13-6-21(2)7-14-24/h6-7,10-18,20H,5,19H2,1-4H3/i2D3,6D,7D,13D,14D
InChI Key	YQBZMGXOWNSVJL-QEKUZJFVSA-N
Purity	98%
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate
Appearance	White Solid
Storage	Store at 2-8°C