trihexyphenidyl   Click here for help

GtoPdb Ligand ID: 7315

Synonyms: Artane® | benzhexol
Approved drug
trihexyphenidyl is an approved drug (FDA (1949))
Compound class: Synthetic organic
Comment: Trihexyphenidyl is an antispasmodic, antimuscarinic drug.
Marketed formulations may contain trihexyphenidyl hydrochloride (PubChem CID 66007).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 301.24
XLogP 4.52
No. Lipinski's rules broken 0
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Canonical SMILES OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1
Isomeric SMILES OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1
InChI InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
1. Auerbach SS, DrugMatrix® and ToxFX® Coordinator National Toxicology Program. 
National Toxicology Program: Dept of Health and Human Services.
Accessed on 02/05/2014. Modified on 02/05/2014. DrugMatrix,
2. Giachetti A, Giraldo E, Ladinsky H, Montagna E. (1986)
Binding and functional profiles of the selective M1 muscarinic receptor antagonists trihexyphenidyl and dicyclomine.
Br J Pharmacol, 89 (1): 83-90. [PMID:2432979]