Enrofloxacin Hydrochloride

Synopsis, Chemistry

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Also known as: Enrofloxacin hydrochloride, 112732-17-9, 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride, 93106-59-3, Enrofloxacin (hydrochloride), Enrofloxacin (monohydrochloride)

Molecular Formula

C₁₉H₂₃ClFN₃O₃

Molecular Weight

395.9 g/mol

InChI Key

PZJWYUDBXNNVLZ-UHFFFAOYSA-N

1 2D Structure

Enrofloxacin Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

2.1.2 InChI

InChI=1S/C19H22FN3O3.ClH/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12;/h9-12H,2-8H2,1H3,(H,25,26);1H

2.1.3 InChI Key

PZJWYUDBXNNVLZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Enrofloxacin Hydrochloride

2. 112732-17-9

3. 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic Acid;hydrochloride

4. 93106-59-3

5. Enrofloxacin (hydrochloride)

6. Enrofloxacin (monohydrochloride)

7. Bay Vp 2674 (hydrochloride);pd160788 (hydrochloride)

8. 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Hydrochloride

9. Enrofloxacinhcl

10. Schembl16784595

11. Hy-b0502a

12. Dtxsid20920877

13. Mfcd01861684

14. Akos015896571

15. Ac-7615

16. Cs-0009462

17. Ft-0687706

18. 861e684

19. Q-201058

20. 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid--hydrogen Chloride (1/1)

2.3 Create Date

2010-05-14

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₃ClFN₃O₃
Molecular Weight	395.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	395.1411975 g/mol
Monoisotopic Mass	395.1411975 g/mol
Topological Polar Surface Area	64.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	613
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