3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-, methanesulfonate, hydrate (1:1:1)

CAS Registry Number®

223652-90-2

CAS Name

3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-, methanesulfonate, hydrate (1:1:1)

Molecular Formula

C23H20F2N2O4.CH4O3S.H2O

Cite this Page

3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-, methanesulfonate, hydrate (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=223652-90-2 (retrieved 2024-11-21) (CAS RN: 223652-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H20F2N2O4.CH4O3S.H2O/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30;1-5(2,3)4;/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30);1H3,(H,2,3,4);1H2/t11-;;/m1../s1

InChIKey

InChIKey=IGTHEWGRXUAFKF-NVJADKKVSA-N

SMILES

O(C(F)F)C1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1C=3C=C4C(=CC3)[C@@H](C)NC4)C5CC5.S(C)(=O)(=O)O.O

Canonical SMILES

O=C(O)C1=CN(C=2C(OC(F)F)=C(C=CC2C1=O)C3=CC=C4C(=C3)CNC4C)C5CC5.O=S(=O)(O)C.O

Other Names for this Substance

  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-, methanesulfonate, hydrate (1:1:1)
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-, monomethanesulfonate, monohydrate
  • Garenoxacin mesylate hydrate
  • Geninax

CAS INSIGHTSTM
Targeted protein degrader structure, illustration