CAS 85700-55-6

Gangwal Healthcare is powered by innovation, driving health, wellness & healing.

Virtual Booth

Contact Supplier

SPI Pharma has been solving formulation challenges using superior functional materials.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 85700-55-6, Scopine hcl, Scopine (hydrochloride), 6,7-epoxytropine hydrochloride, (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol hydrochloride, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride

Molecular Formula

C₈H₁₄ClNO₂

Molecular Weight

191.65 g/mol

InChI Key

BBBRAOXIMQHVCR-QYRWGYAXSA-N

1 2D Structure

CAS 85700-55-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride

2.1.2 InChI

InChI=1S/C8H13NO2.ClH/c1-9-5-2-4(10)3-6(9)8-7(5)11-8;/h4-8,10H,2-3H2,1H3;1H/t4?,5-,6+,7-,8+;

2.1.3 InChI Key

BBBRAOXIMQHVCR-QYRWGYAXSA-N

2.1.4 Canonical SMILES

CN1C2CC(CC1C3C2O3)O.Cl

2.1.5 Isomeric SMILES

CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 85700-55-6

2. Scopine Hcl

3. Scopine (hydrochloride)

4. 6,7-epoxytropine Hydrochloride

5. (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol Hydrochloride

6. (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol Hydrochloride

7. Rel-(1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol Hydrochloride

8. (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02.4)nonan-7-ol Hydrochloride

9. Einecs 288-237-8

10. Mls006011115

11. Hy-b0459a

12. Act04778

13. Mfcd00058097

14. Akos006275399

15. As-35174

16. Smr004702896

17. Sw219096-2

18. 700s556

19. A863466

20. Q-201702

21. (1s,2s,4r,5r)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride

22. Rel-(1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-olhydrochloride

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄ClNO₂
Molecular Weight	191.65 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	191.0713064 g/mol
Monoisotopic Mass	191.0713064 g/mol
Topological Polar Surface Area	36 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

CAS 85700-55-6 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?