Acitretin
(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Molecular Identity
Acitretin
(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
PubChem CID: 5284513
All-trans-acitretin is a retinoid, an acitretin and an alpha,beta-unsaturated monocarboxylic acid. It has a role as a keratolytic drug.
2D Structure
Properties
C21H26O3
Molecular Formula
326.40
Molecular Weight
g/mol
326.1882
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
46.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
539
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OCIsomeric SMILES
SMILES: CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OCSynonyms(20)
Acitretin55079-83-9EtretinSoriataneNeotigasonAcitretine(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acidAcitretinaRo 10-1670Ro 10-1670/000(all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acidDTXSID6022553Ro-10-1670all-trans-3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonatetraenoic acidRo-10-1670/000
Data from PubChem (NCBI)
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