7,13-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecan-6-one

• ChemBase ID: 106089
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: O=C1CCCC2C3CCCN4CCCC(CN12)C34
• Canonical SMILES: O=C1CCCC2N1CC1CCCN3C1C2CCC3
• InChI: InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2
• InChIKey: ZSBXGIUJOOQZMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,13-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecan-6-one
• IUPAC Traditional name: matrine
• Synonyms: MATRINE

Database IDs

• CAS Number: 519-02-8
• PubChem SID: 162092870
• PubChem CID: 285698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3545346
• LogD (pH = 7.4): -1.248441
• Log P: 1.0759273
• Molar Refractivity: 71.4485 cm^3
• Polarizability: 28.175423 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: OQ1754000

DETAILS

MP Biomedicals - 02199023

Light yellow powder