alpha-Acetyldigoxin 乙酰地高辛
CAS 5511-98-8 MFCD00135692
化学结构图
SMILES: CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O
化学属性
| Mol. Formula | C43H66O15 |
|---|---|
| Mol. Weight | 822.98 |
| Melting Point | 199-201 °C |
| Boiling Point | 681.03 °C at 760 mmHg |
别名和识别编码
| Chemical Name | alpha-Acetyldigoxin |
|---|---|
| CAS Number | 5511-98-8 |
| Synonym | Acetyldigoxin {LY} Acetyldigoxin Acetyldigoxins Desglucolanatosides C Didier, Digoxin Digostada Digotab Digoxin Didier Gladixol N Kardiamed Longdigox Novodigal Stillacor alpha Acetyldigoxin alpha-Acetyldigoxin beta Acetyldigoxin beta-Acetyldigoxin ct, digox von digox von ct glycotop von ct, digox {} {LY} Acetyldigoxin {} {} {LY} Acetyldigoxin {} {} {} {LY} Acetyldigoxin {} {} {} {} {LY} Acetyldigoxin {} {} {} {} {} {LY} Acetyldigoxin {} {} {} {} {} {} {LY} Acetyldigoxin {} {} {} {} {} {} {} {LY} Acetyldigoxin {} {} {} {} {} {} {} {} {LY} Acetyldigoxin {} {} {} {} {} {} {} {} {} {LY} Acetyldigoxin {} {} {} {} {} {} {} {} {} {} {LY} Acetyldigoxin {} {} {} {} {} {} {} {} {} {} {} {LY} Acetyldigoxin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 乙酰地高辛 |
| LabNetwork Molecule ID | LN04629644 |
| PubChem Substance ID | 11765960 |
| InChI | InChI=1S/C43H66O15/c1-20-38(49)32(55-23(4)44)18-37(52-20)58-40-22(3)54-36(17-31(40)46)57-39-21(2)53-35(16-30(39)45)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(47)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1 |
| MDL Number | MFCD00135692 |
| Canonical SMILES | O=C1OCC([C@H]2CC[C@@]3(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]3CC[C@H]5[C@]4(C)CC[C@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H](OC(C)=O)C8)C)[C@@H](O)C7)C)[C@@H](O)C6)C5)=C1 |
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分类
- Oligosaccharides
- Pharmaceuticals
- Intermediates & Fine Chemicals
- Steroids
产品应用
- Digoxin derivative, a cardiotonic glycosides
相关文献及参考
- Yoshida, F., et al.: J. Med. Chem., 43, 2575 ( 2000), Turner, J., et al.: Pharm. Res., 21, 68
安全信息
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 230 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 22,1854,1972
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraduodenal SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 494 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 20,1765,1970
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 3300 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 159,1,1966
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 200 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 159,1,1966
TYPE OF TEST : LDLo - Lo
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