Chem
J-GLOBAL ID：200907036871511025   Nikkaji number：J7.130G

COORD

アルブトイン
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： C10H16N2OS
Molecular formula furigana： C10-H16-N2-O-S
Molecular weight： 212.310
InChI： InChI=1S/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
InChI key： RATGSRSDPNECNO-UHFFFAOYSA-N
SMILES： CC(C)CC1NC(=S)N(CC=C)C1=O
Systematic name  (3)：
  • 3-アリル-5-イソブチル-2-チオキソイミダゾリジン-4-オン
  • 5-(2-メチルプロピル)-3-(プロパ-2-エン-1-イル)-2-スルファニリデンイミダゾリジン-4-オン
  • 5-(2-methylpropyl)-3-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-one
Other name (5)：
  • アルブトイン
  • COORD
  • Albutoin
  • BAX-422Z
  • 3-Allyl-5-isobutyl-2-thioxoimidazolidin-4-one
CAS registry number： 830-89-7
KEGG DRUG： D02797
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