Introduction：Basic information about CAS 3175-95-9|deoxyaconitine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | deoxyaconitine |
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| CAS Number | 3175-95-9 | Molecular Weight | 629.738 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 680.6±55.0 °C at 760 mmHg |
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| Molecular Formula | C34H47NO10 | Melting Point | 177-180℃ |
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| MSDS | / | Flash Point | 365.4±31.5 °C |
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Names
| Name | 3-Deoxyaconitine |
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| Synonym | More Synonyms |
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deoxyaconitine BiologicalActivity
| Description | 3-Deoxyaconitine is a diterpenoid alkaloid, isolated from Aconitum Carmichaeli Debx.[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Gao F, et al. 3-Deoxy-aconitine from the root of Aconitum Carmichaeli Debx. Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1342. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 680.6±55.0 °C at 760 mmHg |
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| Melting Point | 177-180℃ |
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| Molecular Formula | C34H47NO10 |
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| Molecular Weight | 629.738 |
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| Flash Point | 365.4±31.5 °C |
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| Exact Mass | 629.320007 |
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| PSA | 133.22000 |
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| LogP | 1.45 |
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| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
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| Index of Refraction | 1.603 |
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| InChIKey | PHASMOUKYDUAOZ-KVOICKMLSA-N |
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| SMILES | CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AR5569100
- CHEMICAL NAME :
- Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8- acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
- CAS REGISTRY NUMBER :
- 3175-95-9
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C34-H47-N-O10
- MOLECULAR WEIGHT :
- 629.82
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1900 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
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Synonyms
| Aconitine,deoxy |
| (1α,6α,14α,15α,16β)-8-Acetoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| deoxyaconitine |
| Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)- |
