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Home> Encyclopedia > Hot Product Listed C   > Ciprofloxacin-D8 hydrochloride hydrate (see Data Sheet)
1216659-54-9 structure

Ciprofloxacin-D8 hydrochloride hydrate (see Data Sheet)

Iupac Name:1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
CAS No.:1216659-54-9
Molecular Weight:375.854
Molecular Formula:C17H19ClFN3O3 (isomer)
Names and Identifiers
Synonyms

1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl-d8)-3-quinolinecarboxylic acid hydrochloride 1-cyclopropyl-6-fluoro-4-oxo-7-[(2,2,3,3,5,5,6,6-(2)h?)piperazin-1-yl]quinoline-3-carboxylic acid hydrochloride 1-cyclopropyl-6-fluoro-4-oxo-7-[(2,2,3,3,5,5,6,6-~2~h_8_)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid--hydrogen chloride (1/1) 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid AKOS030243131 bay q 3939-d8 hydrochloride ciprofloxacin d8 hydrochloride ciprofloxacin d8 hydrochloride 100 microg/ml in water Ciprofloxacin-d8 HCl (piperazine-d8) Solution, 1000ppm ciprofloxacin-d8 hydrochloride ciprofloxacin-d8, hydrochloride ciprofloxacin-d8-hcl hydrate CTK8F8668 dioioskkiydriq-jcylexhwsa-n DTXSID20678689 hydrochloride J-004574

Inchi
InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H/i3D2,4D2,5D2,6D2;
InChkey
DIOIOSKKIYDRIQ-JCYLEXHWSA-N
Canonical Smiles
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.Cl
Computational chemical data
  • Molecular Weight:375.854g/mol
  • Molecular Formula:C17H19ClFN3O3
  • Compound Is Canonicalized:True
  • Exact Mass:375.16
  • Monoisotopic Mass:375.16
  • Complexity:571
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:72.9A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:8
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7MQAEAAAAAAAAAAAAGAAAAAAAAAA8QIAAAAAAAACBAAAAHwAQCAAADCzBmAwwyIPAAgCI AqTWSACCAAAlAgAAiIEIZMgIZD7I1NGUYYhksADI2ceY2aOeCAAAAAQCAAAQAAAACAQAAAAAAAAA AA==
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