Aconitine hydrobromide

CAS 6034-57-7 MFCD01673546

化学结构图

6034-57-7
SMILES: Br.CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14

化学属性

Mol. FormulaC34H47NO11.BrH
Mol. Weight726.74

别名和识别编码

Chemical NameAconitine, hydrobromide
Wiswesser Line NotationT65 B7 I5 I6 I6/CL/JP A K 5BIIJJ S IX NNTJ AOVR& COV1DQ EO1 FQ KO1 N2 P1O1 QQ SO1
CAS Number6034-57-7
PubChem Substance ID24832675
InChIInChI=1S/C34H47NO11.BrH/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33;/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3;1H/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-;/m1./s1
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安全信息

RTECSAR5970000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 304 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TJEMAO Tohoku Journal of Experimental Medicine.  (Maruzen Co. Ltd., Export
   Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan)  V.1-    1920-
   Volume(issue)/page/year: 128,175,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 60 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 33,80,1944

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 428 ug/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TJEMAO Tohoku Journal of Experimental Medicine.  (Maruzen Co. Ltd., Export
   Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan)  V.1-    1920-
   Volume(issue)/page/year: 128,175,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2025 ug/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TJEMAO Tohoku Journal of Experimental Medicine.  (Maruzen Co. Ltd., Export
   Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan)  V.1-    1920-
   Volume(issue)/page/year: 128,175,1979

TYPE OF TEST

系列性分类

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