CAS 136310-64-0 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 136310-64-0, Scopine di(2-thienyl)glycolate, Scopine di(2-thienyl) glycolate, Scopine di(2-thienylglycolate), [(1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate, (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2,2-di(2-thienyl)glycolate
Molecular Formula
C18H19NO4S2
Molecular Weight
377.5  g/mol
InChI Key
VPJFFOQGKSJBAY-UGTXJPTRSA-N

CAS 136310-64-0
1 2D Structure

CAS 136310-64-0

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-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
2.1.2 InChI
InChI=1S/C18H19NO4S2/c1-19-11-8-10(9-12(19)16-15(11)23-16)22-17(20)18(21,13-4-2-6-24-13)14-5-3-7-25-14/h2-7,10-12,15-16,21H,8-9H2,1H3/t10?,11-,12+,15-,16+
2.1.3 InChI Key
VPJFFOQGKSJBAY-UGTXJPTRSA-N
2.1.4 Canonical SMILES
CN1C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O
2.1.5 Isomeric SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 136310-64-0

2. Scopine Di(2-thienyl)glycolate

3. Scopine Di(2-thienyl) Glycolate

4. Scopine Di(2-thienylglycolate)

5. [(1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate

6. (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2,2-di(2-thienyl)glycolate

7. (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-hydroxy-2,2-di(thiophen-2-yl)acetate

8. (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-hydroxy-2,2-dithiophen-2-ylacetate

9. Scopinedi(2-thienyl)glycolate

10. Schembl9889327

11. Scopine Di-(2-thienyl)glycolate

12. Dtxsid601110074

13. Act04779

14. Mfcd09038796

15. Akos015920475

16. Zinc100012208

17. Zinc245190593

18. Ds-13309

19. Cs-0187628

20. Not Available;scopine Di(2-thienyl)glycolate

21. 310s640

22. A849914

23. (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Alpha-hydroxy-alpha-2-thienyl-2-thiopheneacetate

24. 2-thiopheneacetic Acid, Alpha-hydroxy-alpha-2-thienyl-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester

25. Rel-(1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-hydroxy-2,2-di(thiophen-2-yl)acetate

2.3 Create Date
2009-05-28
3 Chemical and Physical Properties
Molecular Weight 377.5 g/mol
Molecular Formula C18H19NO4S2
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass377.07555043 g/mol
Monoisotopic Mass377.07555043 g/mol
Topological Polar Surface Area119 Ų
Heavy Atom Count25
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty