CAS 6900-87-4|Hypaconitine
Introduction：Basic information about CAS 6900-87-4|Hypaconitine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Hypaconitine | ||
|---|---|---|---|
| CAS Number | 6900-87-4 | Molecular Weight | 615.711 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 671.3±55.0 °C at 760 mmHg |
| Molecular Formula | C33H45NO10 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 359.8±31.5 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | Hypaconitine |
|---|---|
| Synonym | More Synonyms |
Hypaconitine BiologicalActivity
| Description | Hypaconitine, an active and highly toxic constituent derived from Aconitum species, is widely used to treat rheumatism. IC50 value:Target:In vitro: The present study investigated the metabolism of hypaconitine in vitro using male human liver microsomes. The primary contributors toward HA metabolism were CYP3A4 and 3A5, with secondary contributions by CYP2C19, 2D6 and CYP2E1 [1].In vivo: |
|---|---|
| Related Catalog | Signaling Pathways >>Apoptosis >>TNF ReceptorNatural Products >>AlkaloidResearch Areas >>Inflammation/Immunology |
| References | [1]. Ling Ye, et al. Microsomal cytochrome P450-mediated metabolism of hypaconitine, an active and highly toxic constituent derived from Aconitum species. Toxicology letters, 2011, 204 (1): 81-91 [2]. Yang Yuan, et al. Difference of hypaconitine concentration in serum between cold-deficiency and normal mice. China Journal of Chinese Materia Medica, 2010-15 [3]. Zhang Jinming, Compatibility Effect between Radix Aconiti Lateralis and Radix Glycyrrhizae on Pharmacokinetics of Hypaconitine in Rat Plasma by LC-MS/MS. World Science Technology-Modernization of Traditional Chinese Medicine, 2011-06 |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 671.3±55.0 °C at 760 mmHg |
| Molecular Formula | C33H45NO10 |
| Molecular Weight | 615.711 |
| Flash Point | 359.8±31.5 °C |
| Exact Mass | 615.304321 |
| PSA | 133.22000 |
| LogP | 0.92 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.607 |
| InChIKey | FIDOCHXHMJHKRW-XABIWAOFSA-N |
| SMILES | COCC12CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5800 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1010 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,170,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1900 ug/kg
- TOXIC EFFECTS :
- Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 35,159,1991
- 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 :
- JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H300 |
| Precautionary Statements | P301 + P310 + P330 |
| Safety Phrases | 24/25 |
| RIDADR | UN 1544 |
| Packaging Group | I |
| Hazard Class | 6.1(a) |
| HS Code | 29399990 |
Synonyms
| Japaconitine C1 |
| HYPACONITINE (PRIMARY STANDARD) |
| Aconitane-8,13,14,15-tetrol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)- |
| Japaconitine B1 |
| (1α,6α,14α,15α,16β)-8-(acetyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate |
| DEOXYMESACONITINE |
| 15-tetraol,16,16-trimethoxy-4-(methoxymethyl)-20-methyl-18-aconitane-14 |
| (1α,6α,14α,15α,16β)-8-Acetoxy-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate |
| Japaconitine C |
