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CAS 42437-96-7 manufacturers and suppliers on PharmaCompass

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CAS 42437-96-7
Also known as: 42437-96-7, (r)-(-)-3-quinuclidinol hydrochloride, (r)-quinuclidin-3-ol hydrochloride, (3r)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride, Schembl731086, 3-quinu-clidinol hydrochloride
Molecular Formula
C7H14ClNO
Molecular Weight
163.64  g/mol
InChI Key
OYEJRVVBERZWPD-FJXQXJEOSA-N

1 2D Structure

CAS 42437-96-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
2.1.2 InChI
InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H/t7-;/m0./s1
2.1.3 InChI Key
OYEJRVVBERZWPD-FJXQXJEOSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)O.Cl
2.1.5 Isomeric SMILES
C1CN2CCC1[C@H](C2)O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 42437-96-7

2. (r)-(-)-3-quinuclidinol Hydrochloride

3. (r)-quinuclidin-3-ol Hydrochloride

4. (3r)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

5. Schembl731086

6. 3-quinu-clidinol Hydrochloride

7. Dtxsid00584193

8. (r)-quinuclidin-3-ol Hcl

9. Amy40173

10. (3r)-3-quinuclidinol Hydrochloride

11. Mfcd00270837

12. (r)-quinuclidin-3-ol (hydrochloride)

13. Akos016004500

14. Ac-24334

15. Cs-0013355

16. (r)-(-)-3-quinuclidinol Hydrochloride, 97%

17. O10184

18. Q-101003

19. (3r)-1-azabicyclo[2.2.2]octan-3-ol--hydrogen Chloride (1/1)

2.3 Create Date
2007-07-16
3 Chemical and Physical Properties
Molecular Weight 163.64 g/mol
Molecular Formula C7H14ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass163.0763918 g/mol
Monoisotopic Mass163.0763918 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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