Chem
J-GLOBAL ID：200907096750239185   Nikkaji number：J34.703E

Cafedrine

カフェドリン
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： C18H23N5O3
Molecular formula furigana： C18-H23-N5-O3
Molecular weight： 357.414
InChI： InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3
InChI key： UJSKUDDDPKGBJY-UHFFFAOYSA-N
SMILES： CC(NCCn1cnc2n(C)c(=O)n(C)c(=O)c12)C(O)c1ccccc1
Systematic name  (4)：
  • 7-[2-(β-ヒドロキシ-α-メチルフェネチルアミノ)エチル]-3,7-ジヒドロ-1,3-ジメチル-1H-プリン-2,6-ジオン
  • 3,7-ジヒドロ-7-[2-[(2-ヒドロキシ-1-メチル-2-フェニルエチル)アミノ]エチル]-1,3-ジメチル-1H-プリン-2,6-ジオン
  • 7-{2-[(1-ヒドロキシ-1-フェニルプロパン-2-イル)アミノ]エチル}-1,3-ジメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 7-{2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (4)：
  • カフェドリン
  • Cafedrine
  • 3,7-Dihydro-7-[2-[(2-hydroxy-1-methyl-2-phenylethyl)amino]ethyl]-1,3-dimethyl-1H-purine-2,6-dione
  • 7-[2-(β-Hydroxy-α-methylphenethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CAS registry number： 58166-83-9
Regulation number (1)：
  • XH5905700
KEGG DRUG： D07151
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