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Substance Name: A 80556
RN: 114676-82-3
InChIKey: CDDGYQYMKFYFSM-JGAZGGJJSA-N

Molecular Formula

  • C21-H18-F3-N3-O3.Cl-H

Molecular Weight

  • 453.8461
 
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Names and Synonyms

Name of Substance

  • A 80556

Synonyms

  • 7-(4-Amino-2-methyl-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid monohydrochloride, (2S-trans)-
  • 7-(4-Amino-2-methylpyrrolodinyl)-(2,4-difluorophenyl)-1,4-dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid
  • A-80556

Systematic Name

  • 3-Quinolinecarboxylic acid, 7-(4-amino-2-methyl-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, monohydrochloride, (2S-trans)-

Registry Numbers

CAS Registry Number

  • 114676-82-3

System Generated Number

  • 0114676823

Molecular Formulas

Molecular Formula

  • C21-H18-F3-N3-O3.Cl-H

Molecular Formula Fragments

  • C21-H18-F3-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H18F3N3O3.ClH/c1-10-4-12(25)8-26(10)19-7-18-13(6-16(19)24)20(28)14(21(29)30)9-27(18)17-3-2-11(22)5-15(17)23;/h2-3,5-7,9-10,12H,4,8,25H2,1H3,(H,29,30);1H/t10-,12-;/m0./s1

InChIKey

CDDGYQYMKFYFSM-JGAZGGJJSA-N

Smiles

C[C@H]1C[C@@H](CN1c2cc3c(cc2F)c(=O)c(cn3c4ccc(cc4F)F)C(=O)O)N.Cl