(11bS)-11-methyl-11b-phenyl-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine hydrochloride

• ChemBase ID: 193625
• Molecular Formular: C21H23ClN2
• Molecular Mass: 338.87372
• Monoisotopic Mass: 338.15497643
• SMILES: c12n(c3c(c1CCN1[C@]2(c2ccccc2)CCC1)cccc3)C.Cl
• Canonical SMILES: Cn1c2ccccc2c2c1[C@]1(CCCN1CC2)c1ccccc1.Cl
• InChI: InChI=1S/C21H22N2.ClH/c1-22-19-11-6-5-10-17(19)18-12-15-23-14-7-13-21(23,20(18)22)16-8-3-2-4-9-16;/h2-6,8-11H,7,12-15H2,1H3;1H/t21-;/m0./s1
• InChIKey: SVNMKWWLRRZGQU-BOXHHOBZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (11bS)-11-methyl-11b-phenyl-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine hydrochloride
• IUPAC Traditional name: (11bS)-11-methyl-11b-phenyl-1H,2H,3H,5H,6H-indolo[3,2-g]indolizine hydrochloride

Database IDs

• PubChem SID: 164249535
• PubChem CID: 24761142

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.1667644
• LogD (pH = 7.4): 2.8802135
• Log P: 4.172057
• Molar Refractivity: 95.6854 cm^3
• Polarizability: 38.05985 Å^3
• Polar Surface Area: 8.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds