Chem
J-GLOBAL ID：200907037871863556   Nikkaji number：J11.162G

Sch-12707

クロニキセリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C16H17ClN2O4
Molecular formula furigana： C16-H17-CL-N2-O4
Molecular weight： 336.770
InChI： InChI=1S/C16H17ClN2O4/c1-10-13(17)5-2-6-14(10)19-15-12(4-3-7-18-15)16(22)23-9-11(21)8-20/h2-7,11,20-21H,8-9H2,1H3,(H,18,19)
InChI key： SWYJYGCPTGKBDS-UHFFFAOYSA-N
SMILES： Cc1c(Cl)cccc1Nc1ncccc1C(=O)OCC(O)CO
Systematic name  (3)：
  • 2-[(3-クロロ-2-メチルフェニル)アミノ]ニコチン酸2,3-ジヒドロキシプロピル
  • 2,3-ジヒドロキシプロピル 2-[(3-クロロ-2-メチルフェニル)アミノ]ピリジン-3-カルボキシラート
  • 2,3-dihydroxypropyl 2-[(3-chloro-2-methylphenyl)amino]pyridine-3-carboxylate
Other name (4)：
  • クロニキセリル
  • Sch-12707
  • Clonixeril
  • 2-[(3-Chloro-2-methylphenyl)amino]nicotinic acid 2,3-dihydroxypropyl ester
CAS registry number： 21829-22-1
KEGG DRUG： D03554
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