Chem
J-GLOBAL ID:200907042581384399
Nikkaji number:J8.302J
Eupnophile
ベナフィリン
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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:
C9 H11 ClN4 O2
Molecular formula furigana:
C9-H11-CL-N4-O2
Molecular weight:
242.660
InChI:
InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
InChI key:
QCIARNIKNKKHFH-UHFFFAOYSA-N
SMILES:
Cn1c2ncn(CCCl)c2c(=O)n(C)c1=O
Systematic name (7):
1,3-ジメチル-7-(2-クロロエチル)-3,7-ジヒドロ-1H-プリン-2,6-ジオン
1,3-ジメチル-7-(2-クロロエチル)-7H-プリン-2,6(1H,3H)-ジオン
7-(2-クロロエチル)-1,3-ジメチルキサンチン
7-(2-クロロエチル)テオフィリン
7-(2-クロロエチル)-3,7-ジヒドロ-1,3-ジメチル-1H-プリン-2,6-ジオン
7-(2-クロロエチル)-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-chloroethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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Other name (9):
ベナフィリン
オイプノフィル
7-(β-クロロエチル)テオフィリン
Eupnophile
Benafylline
7-(β-Chloroethyl)theophylline
Benaphylline
7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
7-(2-Chloroethyl)theophyline
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CAS registry number:
5878-61-5
Regulation number (2):
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