Cas no 57734-69-7 (Sequifenadine)

Sequifenadine structure
Sequifenadine structure
Product Name:Sequifenadine
CAS No:57734-69-7
MF:C22H27NO
MW:321.455886125565
CID:1606253
PubChem ID:42553
Update Time:2025-04-21

Sequifenadine Chemical and Physical Properties

Names and Identifiers

    • Sequifenadine
    • Sequifenadine [INN]
    • Bicarphene
    • BRN 1548429
    • Benzhydrol, 2,2'-dimethyl-alpha-(3-quinuclidinyl)-
    • Sequifenadina
    • Sequifenadina [Spanish]
    • Sequifenadinum
    • Sequifenadinum [Latin]
    • UNII-C7Q3TBR3FP
    • alpha,alpha-Di-o-tolyl-3-quinuclidinemethanol
    • 3-Quinuclidinemethanol, alpha,alpha-di-o-tolyl-
    • 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol
    • 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol
    • ALBB-014236
    • DB13566
    • NCGC00326051-01
    • CS-0326942
    • 1-azabicyclo[2.2.2]octane-3-methanol, alpha,alpha-bis(2-methylphenyl)-, hydrochloride
    • CHEMBL2105505
    • SCHEMBL1813871
    • SEQUIFENADINE [WHO-DD]
    • AB01321356-02
    • D10510
    • HY-W281862
    • DTXSID40866647
    • AKOS005174257
    • C7Q3TBR3FP
    • STL026230
    • 57734-69-7
    • SCHEMBL11761803
    • DA-77802
    • Q4418107
    • SR-01000944892-1
    • (1-Azabicyclo[2.2.2]octan-3-yl)bis(2-methylphenyl)methanol
    • SEQUIFENADINE [MART.]
    • SR-01000944892
    • MDL: MFCD01684917
    • Inchi: 1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3
    • InChI Key: OXDOWGVJMITMJL-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC=CC=1C)(C1C=CC=CC=1C)C1CN2CCC1CC2

Computed Properties

  • Exact Mass: 321.209264485g/mol
  • Monoisotopic Mass: 321.209264485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 406
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 23.5?2
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