Products 2982502-32-7

CAS 2982502-32-7 is the registry number for FXR agonist 9. Offered by: MedChemExpress. Available pack sizes: Get quote.

FXR agonist 9
MedChemExpress
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Structural formula: {0} (CAS {1})

3-[[2-[4-(4-tert-butylphenoxy)butanoylamino]benzoyl]amino]benzoic acid (CAS 2982502-32-7) is a chemical compound with the molecular formula C28H30N2O5 and a molecular weight of 474.5 g/mol. IUPAC name: 3-[[2-[4-(4-tert-butylphenoxy)butanoylamino]benzoyl]amino]benzoic acid. InChIKey: PXVVIZGYRBAVHT-UHFFFAOYSA-N.

Identity
Molecular formulaC28H30N2O5
Molecular weight474.5 g/mol
IUPAC name3-[[2-[4-(4-tert-butylphenoxy)butanoylamino]benzoyl]amino]benzoic acid
InChIKeyPXVVIZGYRBAVHT-UHFFFAOYSA-N
SMILESCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)O

Computed by PubChem (NCBI)

Synonyms: FXR agonist 9, orb2802381
Isomers (same molecular formula)
8-[2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]acetyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one C28H30N2O5
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(tritylamino)butanoic acid C28H30N2O5
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(tritylamino)butanoic acid C28H30N2O5
(2S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid C28H30N2O5

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