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(Q72462924)
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English
6,8-Difluoro-1-(formylmethylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
chemical compound
Ethyl 6,8-difluoro-1,4-dihydro-1-(N-methylformamido)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
408.160911624
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₂F₂N₄O₄
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canonical SMILES
CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)F)NCC=O
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Identifiers
InChI
InChI=1S/C19H22F2N4O4/c1-3-29-19(28)13-11-25(22-4-9-26)16-12(18(13)27)10-14(20)17(15(16)21)24-7-5-23(2)6-8-24/h9-11,22H,3-8H2,1-2H3
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InChIKey
LJYKJQRZKAZZEG-UHFFFAOYSA-N
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CAS Registry Number
158585-86-5
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PubChem CID
53249342
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UniChem compound ID
21257775
1 reference
stated in
UniChem
ZVG number
535759
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DSSTox substance ID
DTXSID50692934
1 reference
matched by identifier from
InChIKey
InChIKey
LJYKJQRZKAZZEG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50643683
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HCIS ID
1939
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