Protheobromine

CAS 50-39-5 MFCD00867352

化学结构图

50-39-5
SMILES: CN1C2N=CN(C)C=2C(=O)N(CC(C)O)C1=O

化学属性

Mol. FormulaC10H14N4O3
Mol. Weight238.28

别名和识别编码

Chemical NameTheobromine, 1-(2-hydroxypropyl)-
Synonym Protheobromine beta-Oxypropyltheobromine Protheobromin TEBE l-(beta-Hydroxypropyl)theobromine 1H-Purine-2,6-dione, 3,7-dihydro-1-(2-hydropropyl)-3,7-dimethyl- 1-(2-Hydroxypropyl)theobromine Bonicor Pantobromino Vascopil Theocor 1-(2-Hydroxypropyl)-3,7-dimethylxanthine Cordaleromin 3,7-Dihydro-1-(2-hydroxypropyl)-3,7-dimethyl-1H-purine-2,6-dione Corodil Cordabromin Pro-Cor
Wiswesser Line NotationT56 BN DN FNVNVJ B F H1YQ
CAS Number50-39-5
Beilstein Registry Number0263332
LabNetwork Molecule IDLN01742301
PubChem Substance ID66120
InChIInChI=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
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安全信息

RTECSXH2387000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 780 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 580 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

Hazard statements
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

系列性分类

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