Alitretinoin
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Molecular Identity
Alitretinoin
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
PubChem CID: 449171
9-cis-retinoic acid is a retinoic acid in which the exocyclic double bonds have 7E,9Z,11E,13E geometry. It has a role as a metabolite, an antineoplastic agent, a keratolytic drug and a retinoid X receptor agonist. It is a conjugate acid of a 9-cis-retinoate.
2D Structure
Properties
C20H28O2
Molecular Formula
300.40
Molecular Weight
g/mol
300.2089
Exact Mass
Da
6.3
XLogP
Above Lipinski threshold
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
567
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Alitretinoin9-CIS-RETINOIC ACID5300-03-8Panretin9-cis-TretinoinPanrexin9-cis Retinoic AcidPanretynPanretin Gel9(Z)-Retinoic acidRetinoic acid, 9-cis-alitretinoinaalitretinoinealitretinoinumAtragen
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Alitretinoin
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