Aconitine, amorphous

CAS 8006-38-0 MFCD N/A

化学结构图

8006-38-0
SMILES: CCN1C[C@@]2(COC)[C@@H](O)C[C@H](OC)[C@@]34[C@@H]1[C@@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)[C@@H](O)[C@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1

化学属性

Mol. Weight645.82
Mol. FormulaC34H47NO11

别名和识别编码

Wiswesser Line NotationT65 B7 I5 I6 I6/CL/JP A K 5BIIJJ S IX NNTJ AOVR& COV1DQ EO1 FQ KO1 N2 P1O1 QQ SO1
Chemical NameAconitine, amorphous
Synonym Mild aconitate Mild aconitine
CAS Number8006-38-0
Chemicalbook IDCB11439989
InChIKeyXFSBVAOIAHNAPC-FZLWCHIQSA-N
PubChem Substance ID22393
InChIInChI=1S/C34H47NO11/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/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

RTECSAR5950000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 75 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPHAA3 Journal of the American Pharmaceutical Association.  (Washington, DC)
    V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year:
   18,17,1929

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPHAA3 Journal of the American Pharmaceutical Association.  (Washington, DC)
    V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year:
   18,17,1929

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   7,337,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 166 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   7,337,1951

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

系列性分类

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