Chem
J-GLOBAL ID:200907029498124869
Nikkaji number:J4.102E
Tebe
コロジル
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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:
C10 H14 N4 O3
Molecular formula furigana:
C10-H14-N4-O3
Molecular weight:
238.247
InChI:
InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3
InChI key:
MXRGZXBFSKSZPH-UHFFFAOYSA-N
SMILES:
CC(O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
Systematic name (4):
1-(2-ヒドロキシプロピル)-3,7-ジメチルキサンチン
3,7-ジヒドロ-1-(2-ヒドロキシプロピル)-3,7-ジメチル-1H-プリン-2,6-ジオン
1-(2-ヒドロキシプロピル)-3,7-ジメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
1-(2-hydroxypropyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (15):
コロジル
ボニコール
プローコル
テオプロピル
コルダブロミン
パントブロミナ
1-(β-ヒドロキシプロピル)テオブロミン
Tebe
Bonicor
Corodil
Pro-Cor
Cordabromin
Pantobromina
1-(β-Hydroxypropyl)theobromine
3,7-Dihydro-1-(2-hydroxypropyl)-3,7-dimethyl-1H-purine-2,6-dione
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CAS registry number:
50-39-5
Regulation number (2):
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