Chem
J-GLOBAL ID：200907090709537821   Nikkaji number：J8.116G

Theodrenaline

テオドレナリン
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： C17H21N5O5
Molecular formula furigana： C17-H21-N5-O5
Molecular weight： 375.385
InChI： InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
InChI key： WMCMJIGLYZDKRN-UHFFFAOYSA-N
SMILES： Cn1c2ncn(CCNCC(O)c3ccc(O)c(O)c3)c2c(=O)n(C)c1=O
Systematic name  (4)：
  • 7-[2-[[2-(3,4-ジヒドロキシフェニル)-2-ヒドロキシエチル]アミノ]エチル]テオフィリン
  • 7-[2-[[2-(3,4-ジヒドロキシフェニル)-2-ヒドロキシエチル]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
  • 7-(2-{[2-(3,4-ジヒドロキシフェニル)-2-ヒドロキシエチル]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-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (4)：
  • テオドレナリン
  • Theodrenaline
  • 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]theophyline
CAS registry number： 13460-98-5
Regulation number (1)：
  • XH5098600
KEGG DRUG： D07155
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