Introduction：Basic information about CAS 4026-95-3|Deacetylcinobufagin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Deacetylcinobufagin |
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| CAS Number | 4026-95-3 | Molecular Weight | 400.508 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 601.9±55.0 °C at 760 mmHg |
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| Molecular Formula | C24H32O5 | Melting Point | 278-280ºC |
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| MSDS | / | Flash Point | 208.1±25.0 °C |
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Names
| Name | Cinobufagin, deacetyl |
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| Synonym | More Synonyms |
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Deacetylcinobufagin BiologicalActivity
| Description | Desacetylcinobufagin is a natural compound used for microbial transformation. |
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| Related Catalog | Signaling Pathways >>Others >>OthersNatural Products >>SteroidsResearch Areas >>Others |
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| References | [1]. Zhu ZT, et al. Novel microbial transformation of desacetylcinobufagin by Fusarium avenaceum AS 3.4594. J Asian Nat Prod Res. 2013;15(3):294-9. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 601.9±55.0 °C at 760 mmHg |
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| Melting Point | 278-280ºC |
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| Molecular Formula | C24H32O5 |
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| Molecular Weight | 400.508 |
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| Flash Point | 208.1±25.0 °C |
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| Exact Mass | 400.224976 |
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| PSA | 83.20000 |
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| LogP | 2.00 |
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| Vapour Pressure | 0.0±3.9 mmHg at 25°C |
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| Index of Refraction | 1.619 |
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| InChIKey | IXZHDDUFQVXHIL-RWRAYJPQSA-N |
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| SMILES | CC12CCC(O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)C3OC132 |
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| Storage condition | -20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EI2963500
- CHEMICAL NAME :
- 5-beta-Bufa-20,22-dienolide, 3-beta,16-beta-dihydroxy-14,15-beta-epoxy-
- CAS REGISTRY NUMBER :
- 4026-95-3
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C24-H32-O5
- MOLECULAR WEIGHT :
- 400.56
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15 ug/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic
- REFERENCE :
- CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 24,1714,1976
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 4415 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 3,111,1961
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Synonyms
| Desacetylcinobufagin |
| 5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,16β-dihydroxy- |
| (3β,5β,15β,16β)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide |
| Bufa-20,22-dienolide, 14,15-epoxy-3,16-dihydroxy-, (3β,5β,15β,16β)- |
| Deacetylcinobufagin |
| 16-deacetylcinobufagin |
| Deacetylcinobufagine |
