Aconine 烏頭原鹼

CAS 509-20-6 MFCD01673464

化学结构图

509-20-6
SMILES: CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@@]3([C@@H]1C[C@]3(O)[C@@H](OC)[C@H](O)[C@@]4(O)[C@H]1[C@H]3O)[C@H](C[C@H]2O)OC |&1:4,8,9,12,14,15,17,19,22,24,26,27,29,31|

化学属性

Mol. FormulaC25H41NO9
Mol. Weight499.59
Melting Point>124°C (dec.)
Density1.42
Boiling Point
Flash Point-

别名和识别编码

Chemical NameAconine
Synonym Aconine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemblink} Jesaconine; (1alpha,3alpha,6al
CAS Number509-20-6
Beilstein Registry Number0060864
Chemical Name Translation烏頭原鹼
LabNetwork Molecule IDLN01377967
MDL Number-
Canonical SMILESO[C@@]1([C@@H](OC)[C@@H]2O)[C@H](O)[C@]([C@@]3([H])C1)([H])[C@@]2(O)[C@@]4([H])[C@H](OC)[C@@]5([H])C63[C@@]4([H])N(CC)C[C@](COC)5[C@H](O)C[C@@H]6OC
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安全信息

RTECSAR5560000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 117 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YHHPAL Yaoxue Xuebao.  Acta Pharmaceutica Sinica.  Pharmaceutical Journal.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  V.1-    1953-    Suspended 1966-78.  Volume(issue)/page/year:
   19,641,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 400 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: 5,324,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 275 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: 5,324,1955

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 374 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YHHPAL Yaoxue Xuebao.  Acta Pharmaceutica Sinica.  Pharmaceutical Journal.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  V.1-    1953-    Suspended 1966-78.  Volume(issue)/page/year:
   19

Storage condition -20 -20°C -20℃

系列性分类

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