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2D Structure
Also known as: Propinox, 13479-13-5, Pargeverine [inn], Pargeverine hcl, Pargeverin, Viadil
Molecular Formula
C21H23NO3
Molecular Weight
337.4  g/mol
InChI Key
QNPHCSSJLHAKSA-UHFFFAOYSA-N
FDA UNII
UC61HM8FX0

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate
2.1.2 InChI
InChI=1S/C21H23NO3/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3/h1,5-14H,15-17H2,2-3H3
2.1.3 InChI Key
QNPHCSSJLHAKSA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC#C
2.2 Other Identifiers
2.2.1 UNII
UC61HM8FX0
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Propinox

2. Propinoxate

2.3.2 Depositor-Supplied Synonyms

1. Propinox

2. 13479-13-5

3. Pargeverine [inn]

4. Pargeverine Hcl

5. Pargeverin

6. Viadil

7. 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate

8. Uc61hm8fx0

9. Diphenyl(2-propynyloxy)acetic Acid 2-(dimethylamino)ethyl Ester

10. Pargeverine (inn)

11. 2-(dimethylamino)ethyl Diphenyl(2-propynyloxy)acetate

12. Terisal

13. Acetic Acid, Diphenyl(2-propynyloxy)-, 2-(dimethylamino)ethyl Ester

14. Pargeverina

15. Pargeverinum

16. Pargeverinum [inn-latin]

17. Pargeverina [inn-spanish]

18. Be 50

19. Ncgc00164558-01

20. Unii-uc61hm8fx0

21. Brn 2226014

22. Viadil (tn)

23. Pargevarine Hcl

24. Benzeneacetic Acid, Alpha-phenyl-alpha-(2-propynyloxy)-, 2-(dimethylamino)ethyl Ester

25. Pargeverine [who-dd]

26. Schembl2111437

27. Chembl1872101

28. Dtxsid1048386

29. Chebi:135433

30. Zinc2019610

31. D07466

32. Q27291011

33. Benzeneacetic Acid, .alpha.-phenyl-.alpha.-(2-propynyloxy)-, 2-(dimethylamino)ethyl Ester

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 337.4 g/mol
Molecular Formula C21H23NO3
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass337.16779360 g/mol
Monoisotopic Mass337.16779360 g/mol
Topological Polar Surface Area38.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1