Homochlorcyclizine dihydrochlorideProduct ingredient for Homochlorcyclizine
- Name
- Homochlorcyclizine dihydrochloride
- Drug Entry
- Homochlorcyclizine
- Accession Number
- DBSALT003097
- Structure
Structure for Homochlorcyclizine dihydrochloride (DBSALT003097)
- Synonyms
- Homochlorcyclizine HCl / Homochlorcyclizine hydrochloride / SA 97 dihydrochloride
- External IDs
- NSC-169498
- UNII
- M1YE3TK8NA
- CAS Number
- 1982-36-1
- Weight
- Average: 387.77
Monoisotopic: 386.1083319 - Chemical Formula
- C19H25Cl3N2
- InChI Key
- JLVFQWFTNVMTEG-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H23ClN2.2ClH/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;;/h2-4,6-11,19H,5,12-15H2,1H3;2*1H
- IUPAC Name
- 4-[(4-chlorophenyl)(phenyl)methyl]-1-methyl-1,4-diazepane-1,4-diium dichloride
- SMILES
- [Cl-].[Cl-].C[NH+]1CCC[NH+](CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
- External Links
- Predicted Properties
Property Value Source Water Solubility 2.7e-06 mg/mL ALOGPS logP -1.5 ALOGPS logP 4.21 Chemaxon logS -8.2 ALOGPS pKa (Strongest Basic) 8.63 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 8.88 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 116.64 m3·mol-1 Chemaxon Polarizability 36.14 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