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Chemistry

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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

Lascufloxacin
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 Weight 439.4 g/mol
Molecular Formula C21H24F3N3O4
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area82.1
Heavy Atom Count31
Formal Charge0
Complexity735
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

J - Antiinfectives for systemic use

J01 - Antibacterials for systemic use

J01M - Quinolone antibacterials

J01MA - Fluoroquinolones

J01MA25 - Lascufloxacin


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