Theobromine, 1-(3-hydroxypropyl)-

CAS 59413-14-8 MFCD01682404

化学结构图

59413-14-8
SMILES: CN1C2N=CN(C)C=2C(=O)N(CCCO)C1=O

化学属性

Mol. FormulaC10H14N4O3
Mol. Weight238.28

别名和识别编码

Chemical NameTheobromine, 1-(3-hydroxypropyl)-
Wiswesser Line NotationT56 BN DN FNVNVJ B1 F1 H3Q
Synonym 1-(3-Hydroxypropyl)-3,7-dimethylxanthine 1-(3-Hydroxypropyl)theobromine gamma-Otb gamma-Oxypropyltheobromin 3,7-Dihydro-1-(3-hydroxypropyl)-3,7-dimethyl-1H-purine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-1-(3-hydroxypropyl)-3,7-dimethyl- 1-(gamma-Oxypropyl)-theobromin
CAS Number59413-14-8
Beilstein Registry Number0263337
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安全信息

RTECSXH2388000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 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           : 1055 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

系列性分类

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