Oxyethyltheobromine

CAS 1507-14-8 MFCD01682401

化学结构图

1507-14-8
SMILES: Cn1cnc2c1c(=O)n(CCO)c(=O)n2C

化学属性

Mol. FormulaC9H12N4O3
Mol. Weight224.25

别名和识别编码

Chemical NameOxyethyltheobromine
Wiswesser Line NotationT56 BN DN FNVNVJ B1 F1 H2Q
Synonym Oxyethyltheobromine 1H-Purine-2,6-dione, 3,7-dihydro-1-(2-hydroxyethyl)-3,7-dimethyl- 1-(beta-Oxyaethyl)-theobromin Oxyaethyltheobromin 3,7-Dihydro-1-(2-hydroxyethyl)-3,7-dimethyl-1H-purine-2,6-dione 1-(2-Hydroxyethyl)-3,7-dimethylxanthine 1-(2-Hydroxyethyl)theobromine
CAS Number1507-14-8
Beilstein Registry Number0250519
InChIKeyRXONRYRTUQKSNI-UHFFFAOYSA-N
PubChem Substance ID200304
InChIInChI=1S/C9H12N4O3/c1-11-5-10-7-6(11)8(15)13(3-4-14)9(16)12(7)2/h5,14H,3-4H2,1-2H3
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安全信息

RTECSXH2382500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 660 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 6,601,1956

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 710 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 6,457,1956

系列性分类

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