Please Wait
Applying Filters...
Xls
2D Structure
Also known as: 57734-69-7, Sequifenadine [inn], 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol, C7q3tbr3fp, Bicarphene, 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol hydrochloride
Molecular Formula
C22H27NO
Molecular Weight
321.5  g/mol
InChI Key
OXDOWGVJMITMJL-UHFFFAOYSA-N
FDA UNII
C7Q3TBR3FP

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol
2.1.2 InChI
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
2.1.3 InChI Key
OXDOWGVJMITMJL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4C)O
2.2 Other Identifiers
2.2.1 UNII
C7Q3TBR3FP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Bicarfen

2. Bicarphen

3. Bicarphene

4. Bicarphene Hydrochloride

5. Bikarfen

6. Quinuclidinyl-3-di(o-tolyl)carbinol

7. Quinuclidyl-3-di-o-tolylcarbinol

2.3.2 Depositor-Supplied Synonyms

1. 57734-69-7

2. Sequifenadine [inn]

3. 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol

4. C7q3tbr3fp

5. Bicarphene

6. 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol Hydrochloride

7. Sequifenadina

8. Sequifenadinum

9. Sequifenadinum [latin]

10. Sequifenadina [spanish]

11. Unii-c7q3tbr3fp

12. Brn 1548429

13. Alpha,alpha-di-o-tolyl-3-quinuclidinemethanol

14. Benzhydrol, 2,2'-dimethyl-alpha-(3-quinuclidinyl)-

15. 1-azabicyclo[2.2.2]octane-3-methanol, Alpha,alpha-bis(2-methylphenyl)-, Hydrochloride

16. 3-quinuclidinemethanol, Alpha,alpha-di-o-tolyl-

17. Sequifenadine [mart.]

18. Sequifenadine [who-dd]

19. Schembl1813871

20. Chembl2105505

21. Schembl11761803

22. Dtxsid40866647

23. Albb-014236

24. Stl026230

25. Akos005174257

26. Db13566

27. Hy-w281862

28. Ncgc00326051-01

29. Cs-0326942

30. D10510

31. Ab01321356-02

32. Sr-01000944892

33. Q4418107

34. Sr-01000944892-1

35. 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol

36. (1-azabicyclo[2.2.2]octan-3-yl)bis(2-methylphenyl)methanol

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 321.5 g/mol
Molecular Formula C22H27NO
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass321.209264485 g/mol
Monoisotopic Mass321.209264485 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

R - Respiratory system

R06 - Antihistamines for systemic use

R06A - Antihistamines for systemic use

R06AX - Other antihistamines for systemic use

R06AX32 - Sequifenadine