Benzoctamine hydrochlorideProduct ingredient for Benzoctamine
- Name
- Benzoctamine hydrochloride
- Drug Entry
- Benzoctamine
Benzoctamine is a drug with two main uses. It can be used as a sedative which does not depress the respiratory system, but rather stimulates it. It can also be used as an anxiolytic with the same efficacy as chlordiazepoxide for treating anxiety neurosis.
- Accession Number
- DBSALT001093
- Structure
Structure for Benzoctamine hydrochloride (DBSALT001093)
- Synonyms
- Benzoctamine HCl
- UNII
- 1C280S920Q
- CAS Number
- 10085-81-1
- Weight
- Average: 285.82
Monoisotopic: 285.1284273 - Chemical Formula
- C18H20ClN
- InChI Key
- NZPJYSIIKYJREH-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H19N.ClH/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18;/h2-9,13,19H,10-12H2,1H3;1H
- IUPAC Name
- methyl({tetracyclo[6.6.2.0²,⁷.0⁹,¹⁴]hexadeca-2,4,6,9(14),10,12-hexaen-1-yl}methyl)amine hydrochloride
- SMILES
- Cl.CNCC12CCC(C3=CC=CC=C13)C1=C2C=CC=C1
- External Links
- ChemSpider
- 59654
- ChEMBL
- CHEMBL2104106
- Predicted Properties
Property Value Source Water Solubility 0.000844 mg/mL ALOGPS logP 4.16 ALOGPS logP 3.64 Chemaxon logS -5.5 ALOGPS pKa (Strongest Basic) 10.04 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 12.03 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 89.95 m3·mol-1 Chemaxon Polarizability 29.32 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon