acitretin

Ligand id: 7598

Name: acitretin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 46.53
Molecular weight 326.19
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name
(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
International Nonproprietary Names
INN number INN
5530 acitretin
Synonyms
Ro-101670000 | Soriatane®
Comments
Acitretin is a second generation retinoid drug. Acitretin is an active metabolite of etretinate, but may also be reverse metabolised back to etretinate.
Database Links
CAS Registry No. 55079-83-9
ChEMBL Ligand
DrugBank Ligand
GtoPdb PubChem SID
PubChem CID
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Wikipedia
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