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Substance Name: PD 140248
RN: 147208-55-7
InChIKey: FPYNYGAGYNTXOM-UHFFFAOYSA-N

Molecular Formula

  • C21-H19-F3-N4-O3.11/10Cl-H

Molecular Weight

  • 4725.0709
 
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Names and Synonyms

Name of Substance

  • PD 140248

Synonyms

  • 7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • PD-140248

Systematic Name

  • 1,8-Naphthyridine-3-carboxylic acid, 7-(3-(1-aminoethyl-1-pyrrolidinyl))-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, hydrochloride (10:11), (S-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 147208-55-7

System Generated Number

  • 0147208557

Molecular Formulas

Molecular Formula

  • C21-H19-F3-N4-O3.11/10Cl-H

Molecular Formula Fragments

  • C21-H19-F3-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/10C21H19F3N4O3.11ClH/c10*1-10(25)11-4-5-27(8-11)20-16(24)7-13-18(29)14(21(30)31)9-28(19(13)26-20)17-3-2-12(22)6-15(17)23;;;;;;;;;;;/h10*2-3,6-7,9-11H,4-5,8,25H2,1H3,(H,30,31);11*1H

InChIKey

FPYNYGAGYNTXOM-UHFFFAOYSA-N

Smiles

c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.Cl.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.c1(c(nc2c(c1)c(=O)c(cn2c1c(cc(cc1)F)F)C(=O)O)N1CC(CC1)C(C)N)F.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl