Ergotoxine
CAS 8006-25-5 MFCD01742062
化学结构图
SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
化学属性
| Mol. Formula | C35H39N5O5.C32H41N5O5.C31H39N5O5 |
|---|---|
| Mol. Weight | 1747.11 |
别名和识别编码
| Chemical Name | Ergtoxin from Centruroides noxius (Scorpion) |
|---|---|
| MDL Number | MFCD01742062 |
| Synonym | Ergtoxin from Centruroides noxius (Scorpion) Ergotoxin Ecboline |
| CAS Number | 8006-25-5 |
| PubChem Substance ID | 3084035 |
| InChI | InChI=1S/C28H33N5O5/c1-15(2)27(26(36)33-14-23(34)32-9-5-8-22(32)28(33,37)38-27)30-25(35)17-10-19-18-6-4-7-20-24(18)16(12-29-20)11-21(19)31(3)13-17/h4,6-7,10,12,15,17,21-22,29,37H,5,8-9,11,13-14H2,1-3H3,(H,30,35)/t17-,21-,22+,27-,28+/m1/s1 |
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分类
- {SNA} Ion Channels, Monovalent Ion Channels, Potassium Channel Modulators, Voltage-gated Ion Channels, 细胞信号转导和神经科学, 细胞生物学
- {SNA} Cell Biology, Cell Signaling and Neuroscience, Ion Channels, Monovalent Ion Channels, Potassium Channel Modulators, Voltage-gated Ion Channels
安全信息
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 1500 ug/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,104,1938
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - man DOSE/DURATION : 3570 ng/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,107,1938
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 107 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 176,171,1934
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 33 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia
Cardiac - pulse rate increase, without fall in BP
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme
Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948
Volume(issue)/page/year: -,285,1948TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE : 20 mg/kg SEX/DURATION : female 5 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 100,555,1959
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