Eberconazole

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Also known as: 130104-32-4, Lsl8e59v2v, 130104-32-4 (nitrate), Ebernet, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yl)-1h-imidazole nitrate, 1h-imidazole, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-, mononitrate

Molecular Formula

C₁₈H₁₅Cl₂N₃O₃

Molecular Weight

392.2 g/mol

InChI Key

DPHMSVRBAXJSPF-UHFFFAOYSA-N

FDA UNII

LSL8E59V2V

1 2D Structure

Eberconazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4,6-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole;nitric acid

2.1.2 InChI

InChI=1S/C18H14Cl2N2.HNO3/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22;2-1(3)4/h1-4,7-11,18H,5-6H2;(H,2,3,4)

2.1.3 InChI Key

DPHMSVRBAXJSPF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C(C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl.[N+](=O)(O)[O-]

2.2 Other Identifiers

2.2.1 UNII

LSL8E59V2V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 130104-32-4

2. Lsl8e59v2v

3. 130104-32-4 (nitrate)

4. Ebernet

5. 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yl)-1h-imidazole Nitrate

6. 1h-imidazole, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-, Mononitrate

7. 1h-imidazole, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo[a,d]cyclohepten-5-yl)-, Nitrate (1:1)

8. 1-(4,6-dichloro-2-tricyclo(9.4.0.03,8)pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole;nitric Acid

9. 1-(4,6-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole;nitric Acid

10. 1h-imidazole, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-, Nitrate (1:1)

11. Ebernet (tn)

12. Unii-lsl8e59v2v

13. 1-(1,3-dichloro-6,11-dihydro-5h-dibenzo[1,2-a:1',4'-e][7]annulen-11-yl)imidazole,nitric Acid

14. Schembl1649316

15. Chembl4534605

16. Dtxsid80926597

17. Hy-106542a

18. Cs-0079200

19. D07884

20. B2692-048109

21. 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo(a,d)(7)annulen-5-yl)-1h-imidazole Nitrate (1:1)

22. Nitric Acid--1-(2,4-dichloro-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yl)-1h-imidazole (1/1)

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₅Cl₂N₃O₃
Molecular Weight	392.2 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	391.0490467 g/mol
Monoisotopic Mass	391.0490467 g/mol
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	416
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