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Home> Encyclopedia > Hot Product Listed 6   > 6-(Aminoiminomethyl)-2-naphthalenyl 4-((4,5-dihydro-1H-imidazol-2-yl)aminobenzoate dimethanesulfonat...
1227465-79-3 structure

6-(Aminoiminomethyl)-2-naphthalenyl 4-((4,5-dihydro-1H-imidazol-2-yl)aminobenzoate dimethanesulfonate

Iupac Name:7-fluoro-2-oxo-1H-quinoline-4-carboxylic acid
CAS No.:1227465-79-3
EINECS(EC#): 275-041-2
Molecular Weight:207.16
Molecular Formula:C19H28N4OS (isomer)
Names and Identifiers
Synonyms

FUT-187 sepimostate mesilate Sepinostat mesilate

Inchi
InChI=1S/C10H6FNO3/c11-5-1-2-6-7(10(14)15)4-9(13)12-8(6)3-5/h1-4H,(H,12,13)(H,14,15)
InChkey
JNJDJHAPAYHLSZ-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=C1F)NC(=O)C=C2C(=O)O
Properties
Boiling Point
508°Cat760mmHg
Flash Point
284.5°C
Computational chemical data
  • Molecular Weight:207.16g/mol
  • Molecular Formula:C19H28N4OS
  • Compound Is Canonicalized:True
  • Exact Mass:207.033
  • Monoisotopic Mass:207.033
  • Complexity:340
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.4A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYByMQAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHwAQCAAADAiBmAgwyILAAgCI AiXSWACCAAAhAgAIiAEAZMgIJDLAlZGEcAhk1AHI2Ye8yKCOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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