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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

Sequifenadine

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 Formula	C₂₂H₂₇NO
Molecular Weight	321.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	321.209264485 g/mol
Monoisotopic Mass	321.209264485 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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

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