(3-{5H,6H,7H,8H,9H,10H,11H-cycloocta[b]indol-5-yl}propyl)dimethylamine

• ChemBase ID: 127844
• Molecular Formular: C19H28N2
• Molecular Mass: 284.43902
• Monoisotopic Mass: 284.22524891
• SMILES: c12c(n(c3ccccc13)CCCN(C)C)CCCCCC2
• Canonical SMILES: CN(CCCn1c2CCCCCCc2c2c1cccc2)C
• InChI: InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3
• InChIKey: PLIGPBGDXASWPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{5H,6H,7H,8H,9H,10H,11H-cycloocta[b]indol-5-yl}propyl)dimethylamine
• IUPAC Traditional name: iprindole
• Synonyms: Iprindole

Database IDs

• CAS Number: 5560-72-5
• PubChem SID: 162222162
• PubChem CID: 21722
• ATC CODE: N06AA13
• CHEMBL: 126224
• Chemspider ID: 20417
• KEGG ID: D04605
• Unique Ingredient Identifier: 69U0IKR8FP
• Wikipedia Title: Iprindole

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0639855
• LogD (pH = 7.4): 2.2387922
• Log P: 4.4797735
• Molar Refractivity: 91.6414 cm^3
• Polarizability: 36.47252 Å^3
• Polar Surface Area: 8.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Excretion: Urine, Feces
• Half Life: 52.5 hours
• Metabolism: Hepatic
• Legal Status: Rx-only