bexarotene

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 15
Total Number of Articles : 5
PubChem 82146
Molecular Formula

C24H28O2

SMILES

CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

InChI

InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)

synonyms
  • Bexarotene
  • 153559-49-0
  • Targrexin
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Properties
Property Value
MW 348.5 g/mol
HBD 1
HBA 2
Rotatable Bond Count 3
Exact Mass 348.208930132 g/mol
Monoisotopic Mass 348.208930132 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 551
xlogp 7.6
Topological Polar Surface Area 37.3