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Also known as: 848416-07-9, Lascufloxacin [inn], 7-((3s,4s)-3-((cyclopropylamino)methyl)-4-fluoropyrrolidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Lasvic, Unii-55mob566v7, 55mob566v7

Molecular Formula

C₂₁H₂₄F₃N₃O₄

Molecular Weight

439.4 g/mol

InChI Key

ZFIOCUITTUUVPV-MEDUHNTESA-N

FDA UNII

55MOB566V7

1 2D Structure

Lascufloxacin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-[(3S,4S)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid

2.1.2 InChI

InChI=1S/C21H24F3N3O4/c1-31-20-17-13(19(28)14(21(29)30)9-26(17)5-4-22)6-15(23)18(20)27-8-11(16(24)10-27)7-25-12-2-3-12/h6,9,11-12,16,25H,2-5,7-8,10H2,1H3,(H,29,30)/t11-,16+/m0/s1

2.1.3 InChI Key

ZFIOCUITTUUVPV-MEDUHNTESA-N

2.1.4 Canonical SMILES

COC1=C2C(=CC(=C1N3CC(C(C3)F)CNC4CC4)F)C(=O)C(=CN2CCF)C(=O)O

2.1.5 Isomeric SMILES

COC1=C2C(=CC(=C1N3C[C@@H]([C@@H](C3)F)CNC4CC4)F)C(=O)C(=CN2CCF)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

55MOB566V7

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Krp-am1977

2.3.2 Depositor-Supplied Synonyms

1. 848416-07-9

2. Lascufloxacin [inn]

3. 7-((3s,4s)-3-((cyclopropylamino)methyl)-4-fluoropyrrolidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

4. Lasvic

5. Unii-55mob566v7

6. 55mob566v7

7. 3-quinolinecarboxylic Acid, 7-((3s,4s)-3-((cyclopropylamino)methyl)-4-fluoro-1-pyrrolidinyl)-6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-8-methoxy-4-oxo-

8. 7-[(3s,4s)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxoquinoline-3-carboxylic Acid

9. 7-[(3s,4s)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidine-1-yl]-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

10. 7-{(3s,4s)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidine-1-yl}-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

11. Schembl501128

12. Lascufloxacin [who-dd]

13. Krp-am1977

14. Gtpl10823

15. Zfiocuittuuvpv-meduhntesa-n

16. Dtxsid001336967

17. Bcp29461

18. Ex-a5300

19. Akos040733577

20. Hy-16745

21. Cs-0012345

22. Krp-am1977; Krp-am-1977; Krp-am 1977

23. Q27261317

2.4 Create Date

2013-06-11

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₄F₃N₃O₄
Molecular Weight	439.4 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	82.1
Heavy Atom Count	31
Formal Charge	0
Complexity	735
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1