1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate (1:?)

CAS Registry Number®

100490-94-6

CAS Name

1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate (1:?)

Molecular Formula

C19H15F3N4O3.xC7H8O3S

Cite this Page

1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate (1:?).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=100490-94-6 (retrieved 2024-11-21) (CAS RN: 100490-94-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H15F3N4O3.C7H8O3S/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10)

InChIKey

InChIKey=CSSQVOKOWWIUCX-UHFFFAOYSA-N

SMILES

O=C1C=2C(N(C=C1C(O)=O)C3=C(F)C=C(F)C=C3)=NC(=C(F)C2)N4CC(N)CC4.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(O)C1=CN(C2=NC(=C(F)C=C2C1=O)N3CCC(N)C3)C4=CC=C(F)C=C4F.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate (1:?)
  • 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate

CAS INSIGHTSTM
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