N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine

• ChemBase ID: 126591
• Molecular Formular: C18H20N2
• Molecular Mass: 264.3648
• Monoisotopic Mass: 264.16264865
• SMILES: c12c3c(ccc1)C(NC)CCN3c1ccccc1CC2
• Canonical SMILES: CNC1CCN2c3c1cccc3CCc1c2cccc1
• InChI: InChI=1S/C18H20N2/c1-19-16-11-12-20-17-8-3-2-5-13(17)9-10-14-6-4-7-15(16)18(14)20/h2-8,16,19H,9-12H2,1H3
• InChIKey: AEOOLRRTECSMIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-azatetracyclo[8.7.1.0^2,^7.0^1^4,^1^8]octadeca-2,4,6,10(18),11,13-hexaen-15-amine
• IUPAC Traditional name: ciclopramine
• Synonyms: Ciclopramine

Database IDs

• CAS Number: 33545-56-1
• PubChem SID: 162220921
• PubChem CID: 160410
• Chemspider ID: 140965
• Unique Ingredient Identifier: BXS8X8APGS
• Wikipedia Title: Ciclopramine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5709547
• LogD (pH = 7.4): 1.8223115
• Log P: 3.7065153
• Molar Refractivity: 83.5357 cm^3
• Polarizability: 32.07526 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Not marketed