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Also known as: 57734-70-0, Bicarphen, Bicarfen, Quinuclidin-3-yldi-o-tolylmethanol hydrochloride, 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol hydrochloride, 305t85j01y

Molecular Formula

C₂₂H₂₈ClNO

Molecular Weight

357.9 g/mol

InChI Key

WCYWFJOJKZCSAJ-UHFFFAOYSA-N

FDA UNII

305T85J01Y

1 2D Structure

Sequifenadine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C22H27NO.ClH/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;1H

2.1.3 InChI Key

WCYWFJOJKZCSAJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4C)O.Cl

2.2 Other Identifiers

2.2.1 UNII

305T85J01Y

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. 57734-70-0

2. Bicarphen

3. Bicarfen

4. Quinuclidin-3-yldi-o-tolylmethanol Hydrochloride

5. 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol Hydrochloride

6. 305t85j01y

7. Bikarfen

8. 1-azabicyclo(2.2.2)octane-3-methanol, Alpha,alpha-bis(2-methylphenyl)-, Hydrochloride

9. 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]-methanol Hydrochloride

10. Unii-305t85j01y

11. (quinuclidyl-3)-di-(o-tolyl)carbinol Hydrochloride

12. Mls006010882

13. Schembl11764873

14. Dtxsid30973319

15. Mfcd17676104

16. Akos005110994

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

18. Smr004701799

19. Sequifenadine Hydrochloride [who-dd]

20. Ft-0682670

21. Quinuclidin-3-yldi-o-tolylmethanolhydrochloride

22. A923088

23. 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol;hydrochloride

24. (1-azabicyclo[2.2.2]octan-3-yl)bis(2-methylphenyl)methanol--hydrogen Chloride (1/1)

25. 1-azabicyclo(2.2.2)octane-3-methanol, .alpha.,.alpha.-bis(2-methylphenyl)-, Hydrochloride (1:1)

2.4 Create Date

2011-02-22

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₈ClNO
Molecular Weight	357.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	357.1859422 g/mol
Monoisotopic Mass	357.1859422 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	25
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	2

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