Delavaconitine

CAS 1356-52-1 MFCD01356521

化学结构图

1356-52-1
SMILES: CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2(O)CC4C1C2OC(=O)c1ccccc1

化学属性

Mol. Weight497.69
Mol. FormulaC29H39NO6

别名和识别编码

Chemical NameDelavaconitine
Synonym 1,16-beta-Dimethoxy-20-ethylaconitane-8,13,14-alpha-triol 14-benzoate Delavaconine
Beilstein Registry Number4279438
CAS Number1356-52-1
InChIKeyHPXCSFGRIIAHER-UHFFFAOYSA-N
PubChem Substance ID121441
InChIInChI=1S/C29H39NO6/c1-4-30-15-17-10-11-21(34-2)29-18(17)12-19(24(29)30)27(32)14-22(35-3)28(33)13-20(29)23(27)25(28)36-26(31)16-8-6-5-7-9-16/h5-9,17-25,32-33H,4,10-15H2,1-3H3
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安全信息

RTECSAR5566000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 106 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JOETD7 Journal of Ethnopharmacology.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1979-  Volume(issue)/page/year:
   4,247,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 112 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JOETD7 Journal of Ethnopharmacology.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1979-  Volume(issue)/page/year:
   4,247,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JOETD7 Journal of Ethnopharmacology.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1979-  Volume(issue)/page/year:
   4,247,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JOETD7 Journal of Ethnopharmacology.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1979-  Volume(issue)/page/year:
   4,247,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rode

系列性分类

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