Alitretinoin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 395
Total Number of Articles : 512
PubChem 449171
Molecular Formula

C20H28O2

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C

InChI

InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+

synonyms
  • 9-CIS-RETINOIC ACID
  • Alitretinoin
  • Panretin
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Properties
Property Value
MW 300.4 g/mol
HBD 1
HBA 2
Rotatable Bond Count 5
Exact Mass 300.208930132 g/mol
Monoisotopic Mass 300.208930132 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 567
xlogp 6.3
Topological Polar Surface Area 37.3