Isothipendyl hydrochlorideProduct ingredient for Isothipendyl
- Name
- Isothipendyl hydrochloride
- Drug Entry
- Isothipendyl
Isothipendyl is an antihistamine and anticholinergic used as an antipruritic.
- Accession Number
- DBSALT000907
- Structure
Structure for Isothipendyl hydrochloride (DBSALT000907)
- Synonyms
- Isothipendyl HCl
- UNII
- 953AP1LBV8
- CAS Number
- 1225-60-1
- Weight
- Average: 321.87
Monoisotopic: 321.1066465 - Chemical Formula
- C16H20ClN3S
- InChI Key
- RQHCFTORMXCNGP-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H19N3S.ClH/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19;/h4-10,12H,11H2,1-3H3;1H
- IUPAC Name
- dimethyl(1-{9-thia-2,4-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(14),3(8),4,6,10,12-hexaen-2-yl}propan-2-yl)amine hydrochloride
- SMILES
- Cl.CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C
- External Links
- PubChem Compound
- 14668
- ChemSpider
- 14000
- ChEBI
- 31734
- ChEMBL
- CHEMBL2107246
- Predicted Properties
Property Value Source Water Solubility 0.14 mg/mL ALOGPS logP 3.45 ALOGPS logP 3.66 Chemaxon logS -3.3 ALOGPS pKa (Strongest Basic) 8.91 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 19.37 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 86.66 m3·mol-1 Chemaxon Polarizability 31.58 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon