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Chemistry

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Also known as: 118201-38-0, Tetryzolin nitrate, Tetryzoline nitrate, Tetrahydrozoline nitrate [jan], (+/-)-tetrahydrozoline nitrate, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1h-imidazole mononitrate
Molecular Formula
C13H17N3O3
Molecular Weight
263.29  g/mol
InChI Key
SVQFLMKSDLCPAY-UHFFFAOYSA-N
FDA UNII
8P9X484T3F

Tetrahydrozoline nitrate
1 2D Structure

Tetrahydrozoline nitrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
nitric acid;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
2.1.2 InChI
InChI=1S/C13H16N2.HNO3/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;2-1(3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H,2,3,4)
2.1.3 InChI Key
SVQFLMKSDLCPAY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(C2=CC=CC=C2C1)C3=NCCN3.[N+](=O)(O)[O-]
2.2 Other Identifiers
2.2.1 UNII
8P9X484T3F
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 118201-38-0

2. Tetryzolin Nitrate

3. Tetryzoline Nitrate

4. Tetrahydrozoline Nitrate [jan]

5. (+/-)-tetrahydrozoline Nitrate

6. 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1h-imidazole Mononitrate

7. Tetrahydrozoline Nitrate (jan)

8. Tetrahydrozoline (nitrate)

9. 8p9x484t3f

10. 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1h-imidazole Nitrate

11. Nitric Acid;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1h-imidazole

12. 1h-imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, Mononitrate

13. 1h-imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, Nitrate (1:1)

14. Narbel

15. Unii-8p9x484t3f

16. Narbel (tn)

17. Schembl1512892

18. Chebi:145570

19. Tetryzoline Nitrate [who-dd]

20. Akos015895925

21. D00756

22. Q27270852

2.4 Create Date
2005-10-11
3 Chemical and Physical Properties
Molecular Weight 263.29 g/mol
Molecular Formula C13H17N3O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass263.12699141 g/mol
Monoisotopic Mass263.12699141 g/mol
Topological Polar Surface Area90.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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