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AGN 193109-d7

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CAT	APS1216429252
CAS	1216429-25-2
Synonyms	AGN 193109-d7,4-[2-[5,5-Dimethyl-8-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6H-naphthalen-2-yl]ethynyl]benzoic acid, 4-[2-[5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]benzoic acid D7 (4-toluenyl-D7), CD 3106-d7
IUPAC Name	4-[2-[5,5-dimethyl-8-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6H-naphthalen-2-yl]ethynyl]benzoic acid
Molecular Weight	399.53
Molecular Formula	C282H7H17O2
Canonical SMILES	[2H]c1c([2H])c(c([2H])c([2H])c1C2=CCC(C)(C)c3ccc(cc23)C#Cc4ccc(cc4)C(=O)O)C([2H])([2H])[2H]
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

Accurate Mass	399.2216
Format	Neat
Subcategory	Enzyme inhibitors, Stable isotope labelled compounds
Type	Stable Isotope Labelled

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