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ACTIVE PHARMA INGREDIENTS

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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

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 Formula	C₁₃H₁₇N₃O₃
Molecular Weight	263.29 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	263.12699141 g/mol
Monoisotopic Mass	263.12699141 g/mol
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	284
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2