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Antazoline Sulfate
Also known as: 24359-81-7, 1h-imidazole-2-methanamine, 4,5-dihydro-n-phenyl-n-(phenylmethyl)-, sulfate (1:1), 6t74i07212, N-benzyl-n-(4,5-dihydro-1h-imidazol-2-ylmethyl)aniline;sulfuric acid, N-benzyl-n-((4,5-dihydro-1h-imidazol-2-yl)methyl)aniline sulfate, Unii-6t74i07212
Molecular Formula
C17H21N3O4S
Molecular Weight
363.4  g/mol
InChI Key
UWOSJBSLQYMGDL-UHFFFAOYSA-N
FDA UNII
6T74I07212

1 2D Structure

Antazoline Sulfate

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 Weight 363.4 g/mol
Molecular Formula C17H21N3O4S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass363.12527733 g/mol
Monoisotopic Mass363.12527733 g/mol
Topological Polar Surface Area111 Ų
Heavy Atom Count25
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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