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5-Amino-2,4-di-tert-butylphenol-[d9]

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General Information
Catalog: BLP-013774
CAS: 1577233-54-5
Molecular Formula: C14H14D9NO
Molecular Weight: 230.39

Chemical Structure

Description	5-Amino-2,4-di-tert-butylphenol-[d9] is the labelled analogue of 5-Amino-2,4-di-tert-butylphenol, which is an intermediate of Ivacaftor, a drug used in the treatment of cystic fibrosis.
Synonyms	Phenol, 5-amino-2,4-bis(1,1-dimethylethyl)-d9; 5-Amino-4-(1,1-dimethylethyl)-2-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-phenol; 5-Amino-2,4-di-tert-butylphenol-d9
IUPAC Name	5-amino-4-tert-butyl-2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
Related CAS	873055-58-4 (unlabelled)
Canonical SMILES	CC(C)(C)C1=CC(=C(C=C1N)O)C(C)(C)C
InChI	InChI=1S/C14H23NO/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,16H,15H2,1-6H3/i4D3,5D3,6D3
InChI Key	BKSDHPHOWDUJNB-ASMGOKTBSA-N
Solubility	Soluble in Acetone, Dichloromethane, Methanol
Appearance	Brown Solid