(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraen-14-ol hydrobromide

• ChemBase ID: 201401
• Molecular Formular: C17H22BrNO3
• Molecular Mass: 368.26548
• Monoisotopic Mass: 367.07830557
• SMILES: [C@]123c4c(O[C@H]1C[C@H](C=C2)O)c(ccc4CN(CC3)C)OC.Br
• Canonical SMILES: COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)O.Br
• InChI: InChI=1S/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1
• InChIKey: QORVDGQLPPAFRS-XPSHAMGMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^1,^1^2.0^6,^1^7]heptadeca-6,8,10(17),15-tetraen-14-ol hydrobromide
• IUPAC Traditional name: galantamine hydrobromide

Database IDs

• PubChem SID: 164257311
• PubChem CID: 121587

CALCULATED PROPERTIES

• Acid pKa: 14.810377
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9891269
• LogD (pH = 7.4): -0.35530484
• Log P: 1.1630428
• Molar Refractivity: 82.3049 cm^3
• Polarizability: 31.647512 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HBr
• Classification: Genuine Natural Compounds