Arran Chemical Company

CAS 42437-96-7

Chemistry, 1 End Use API, 16 Related Intermediates

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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 Formula	C₇H₁₄ClNO
Molecular Weight	163.64 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	163.0763918 g/mol
Monoisotopic Mass	163.0763918 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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(R)-(-)-3-Quinuclidinol

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CAS Number

25333-42-0

End Use API

Arran is an independent fine chemical company located near Athlone, Ireland. Our range of pharmaceutical ...

Arran is an independent fine chemical company located near Athlone, Ireland. Our range of pharmaceutical intermediates includes alkylamines and hydrochlorides, Grignard-based chemistry, mandelic acid, diaminocyclohexane and benzhydrylamine derivatives, and an extensive range of chiral reagents and synthons. Our manufacturing programme includes chiral amines, aminoalcohols, ligands and catalysts for asymmetric synthesis, organometallic and low temperature chemistry, and we offer process development services based on a wide range of technology.Arran is certified to ISO9001:2008 and ISO140001:2004 Standards.

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