Indaconitone, 98%, from Kusnezoff monkshood root 印乌头碱
CAS 4491-19-4 MFCD04491194
化学结构图
SMILES: CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
化学属性
| Mol. Weight | 629.74 |
|---|---|
| Melting Point | 193-195 ºC |
| Density | 1.33 |
| Mol. Formula | C34H47NO10 |
| Boiling Point |
别名和识别编码
| Synonym | 15-Deoxyaconitine Acetylbenzoylpseudaconine Acetylbenzoylpseudaconine; Acetylbenzoylpseudoaconine; (1alpha,3alpha,6alpha,14alpha,16beta)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14-tetrol 8-acetate 14-benzoate; 15-Deoxyaconitine Acetylbenzoylpseudoaconine Indaconitine Indaconitine (>90%) |
|---|---|
| CAS Number | 4491-19-4 |
| Chemical Name | Indaconitone, 98%, from Kusnezoff monkshood root |
| InChIKey | PHDZNMWTZQPAEW-JTMUMDSNSA-N |
| Beilstein Registry Number | 0074036 |
| Chemical Name Translation | 印乌头碱 |
| PubChem Substance ID | 441740 |
| InChI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28?,29-,31+,32+,33-,34+/m1/s1 |
| MDL Number | |
| EC Number |
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安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 470 ug/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 : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 666 ug/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 : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 730 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China
International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11-
1980- Volume(issue)/page/year: 15,180,1984 GHS Symbol
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