Antazoline Sulfate

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;sulfuric acid

2.1.2 InChI

InChI=1S/C17H19N3.H2O4S/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);(H2,1,2,3,4)

2.1.3 InChI Key

UWOSJBSLQYMGDL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3.OS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

6T74I07212

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 24359-81-7

2. 1h-imidazole-2-methanamine, 4,5-dihydro-n-phenyl-n-(phenylmethyl)-, Sulfate (1:1)

3. 6t74i07212

4. N-benzyl-n-(4,5-dihydro-1h-imidazol-2-ylmethyl)aniline;sulfuric Acid

5. N-benzyl-n-((4,5-dihydro-1h-imidazol-2-yl)methyl)aniline Sulfate

6. Unii-6t74i07212

7. Antazoline Sulphate

8. Schembl2506130

9. Dtxsid30179096

10. Antazoline Sulfate [mart.]

11. Antazoline Sulfate [who-dd]

12. Q27265486

13. 2-imidazoline, 2-((n-benzylanilino)methyl)-, Sulfate (1:1)

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₁N₃O₄S
Molecular Weight	363.4 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	363.12527733 g/mol
Monoisotopic Mass	363.12527733 g/mol
Topological Polar Surface Area	111 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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