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Substance Name: (3-((Acetyloxy)methyl)-2-carboxy-8-oxo-5-thia-1-azabicylo(4,2,0)oct-2-en-7-yl)ammonium,1-ethyl-6-fluoro-7-chloro-1,4-dihydro-4-oxo-3-quinoline carboxylate
RN: 191470-03-8
InChIKey: NAUBEVWXFDUCLL-JRHRPUMJSA-N

Molecular Formula

  • C12-H9-Cl-F-N-O3.C10-H12-N2-O5-S

Molecular Weight

  • 541.9379
 
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Names and Synonyms

Synonym

  • 3-Quinolinecarboxylic acid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-, (6R-trans)-3-((acetyloxy)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

Systematic Name

  • (3-((Acetyloxy)methyl)-2-carboxy-8-oxo-5-thia-1-azabicylo(4,2,0)oct-2-en-7-yl)ammonium,1-ethyl-6-fluoro-7-chloro-1,4-dihydro-4-oxo-3-quinoline carboxylate

Registry Numbers

CAS Registry Number

  • 191470-03-8

System Generated Number

  • 0191470038

Molecular Formulas

Molecular Formula

  • C12-H9-Cl-F-N-O3.C10-H12-N2-O5-S

Molecular Formula Fragments

  • C10-H12-N2-O5-S
  • C12-H9-Cl-F-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C12H9ClFNO3.C10H12N2O5S/c1-2-15-5-7(12(17)18)11(16)6-3-9(14)8(13)4-10(6)15;1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h3-5H,2H2,1H3,(H,17,18);6,9H,2-3,11H2,1H3,(H,15,16)/t;6-,9-/m.1/s1

InChIKey

NAUBEVWXFDUCLL-JRHRPUMJSA-N

Smiles

CCn1cc(c(=O)c2c1cc(c(c2)F)Cl)C(=O)O.CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O