Chem
J-GLOBAL ID：200907086314502037   Nikkaji number：J19.829C

Disofenin

ジソフェニン
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： C18H26N2O5
Molecular formula furigana： C18-H26-N2-O5
Molecular weight： 350.415
InChI： InChI=1S/C18H26N2O5/c1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25)
InChI key： UDUSOMRJOPCWHT-UHFFFAOYSA-N
SMILES： CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O
Systematic name  (5)：
  • [[[(2,6-ジイソプロピルフェニル)カルバモイル]メチル]イミノ]二酢酸
  • N-[2-[[2,6-ビス(1-メチルエチル)フェニル]アミノ]-2-オキソエチル]-N-(カルボキシメチル)グリシン
  • [(2,6-ジイソプロピルフェニルカルバモイル)メチル]イミノビス酢酸
  • 2-[({[2,6-ビス(プロパン-2-イル)フェニル]カルバモイル}メチル)(カルボキシメチル)アミノ]酢酸
  • 2-[({[2,6-bis(propan-2-yl)phenyl]carbamoyl}methyl)(carboxymethyl)amino]acetic acid
Other name (5)：
  • ジソフェニン
  • Disofenin
  • [[[(2,6-Diisopropylphenyl)carbamoyl]methyl]imino]diacetic acid
  • N-[2-[[2,6-Bis(1-methylethyl)phenyl]amino]-2-oxoethyl]-N-(carboxymethyl)glycine
  • [(2,6-Diisopropylphenylcarbamoyl)methyl]iminobisacetic acid
CAS registry number： 65717-97-7
KEGG DRUG： D03873
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