Tridihexethyl chlorideProduct ingredient for Tridihexethyl
- Name
- Tridihexethyl chloride
- Drug Entry
- Tridihexethyl
Tridihexethyl is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. Tridihexethyl is an antimuscarinic, anticholinergic drug. Tridihexethyl is no longer available in the US market.
- Accession Number
- DBSALT001377
- Structure
Structure for Tridihexethyl chloride (DBSALT001377)
- Synonyms
- Not Available
- UNII
- 25YK75CYMX
- CAS Number
- 4310-35-4
- Weight
- Average: 353.98
Monoisotopic: 353.2485425 - Chemical Formula
- C21H36ClNO
- InChI Key
- XJGONMZLEDGBRM-UHFFFAOYSA-M
- InChI
- InChI=1S/C21H36NO.ClH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1
- IUPAC Name
- (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethylazanium chloride
- SMILES
- [Cl-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1
- External Links
- ChemSpider
- 19123
- ChEBI
- 9703
- ChEMBL
- CHEMBL1200771
- Wikipedia
- Tridihexethyl
- Predicted Properties
Property Value Source Water Solubility 1.86e-05 mg/mL ALOGPS logP 2.13 ALOGPS logP 0.29 Chemaxon logS -7.3 ALOGPS pKa (Strongest Acidic) 13.69 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.23 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 111.22 m3·mol-1 Chemaxon Polarizability 39.19 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon