71138-97-1 Purity
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Specification
The molecular formula of arotinoid acid is C24H28O2.
The molecular weight of arotinoid acid is 348.5 g/mol.
The IUPAC name of arotinoid acid is 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid.
The InChIKey of arotinoid acid is FOIVPCKZDPCJJY-JQIJEIRASA-N.
One of the synonyms for arotinoid acid is TTNPB.
Arotinoid acid acts as an antineoplastic agent, a retinoic acid receptor agonist, and a teratogenic agent.
The computed properties of arotinoid acid include its molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, and heavy atom count.
Some other identifiers for arotinoid acid include its CAS number (71441-28-6), European Community (EC) number (622-084-3), UNII (673M8C29UR), ChEMBL ID (CHEMBL275311), DSSTox Substance ID (DTXSID6040743), KEGG ID (C15634), Metabolomics Workbench ID (147428), Nikkaji Number (J325.995A), Pharos Ligand ID (UZ3U2U7RWWXB), and Wikidata (Q27089031).
Arotinoid acid consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group.
Arotinoid acid selectively agonizes the retinoic acid receptors (RAR).