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Technical details about Propatylnitrate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Propatylnitrate, 2921-92-8, Etrynit, Ettn, Win 9317, Propatyl nitrate [usan]
Molecular Formula
C6H11N3O9
Molecular Weight
269.17  g/mol
InChI Key
YZZCJYJBCUJISI-UHFFFAOYSA-N
FDA UNII
AJT2YN495R

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,2-bis(nitrooxymethyl)butyl nitrate
2.1.2 InChI
InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3
2.1.3 InChI Key
YZZCJYJBCUJISI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
AJT2YN495R
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,1,1-tris(hydroxymethyl)propane Nitrate

2.3.2 Depositor-Supplied Synonyms

1. Propatylnitrate

2. 2921-92-8

3. Etrynit

4. Ettn

5. Win 9317

6. Propatyl Nitrate [usan]

7. 2,2-bis(nitrooxymethyl)butyl Nitrate

8. Propatylnitrate [inn]

9. Ett-n

10. Propylidynetrimethyl Trinitrate

11. Ajt2yn495r

12. 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Trinitrate

13. Win-9317

14. Propatylnitrate (inn)

15. Propatyl Nitrate (usan)

16. 1,3-propanediol, 2-ethyl-2-((nitrooxy)methyl)-, Dinitrate (ester)

17. Gina; Ginapect;vasangor; Vassangor; Win 9317

18. Propatilnitrato

19. Propatylnitratum

20. Unii-ajt2yn495r

21. Propatylnitrat

22. Propatylnitratum [inn-latin]

23. Propatilnitrato [inn-spanish]

24. Einecs 220-866-5

25. Etrynit (tn)

26. Propatyl Nitrate [mi]

27. Schembl214199

28. Chembl488280

29. Propatylnitrate [mart.]

30. Propatylnitrate [who-dd]

31. Dtxsid40183467

32. Chebi:135104

33. Zinc8214664

34. Db13255

35. Ft-0605955

36. D05627

37. Q7250097

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 269.17 g/mol
Molecular Formula C6H11N3O9
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass269.04952894 g/mol
Monoisotopic Mass269.04952894 g/mol
Topological Polar Surface Area165 Ų
Heavy Atom Count18
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

C - Cardiovascular system

C01 - Cardiac therapy

C01D - Vasodilators used in cardiac diseases

C01DA - Organic nitrates

C01DA07 - Propatylnitrate


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