Introduction：Basic information about CAS 752-61-4|digitalin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | digitalin |
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| CAS Number | 752-61-4 | Molecular Weight | 712.82100 |
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| Density | 1.42g/cm3 | Boiling Point | 889.4ºC at 760 mmHg |
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| Molecular Formula | C36H56O14 | Melting Point | / |
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| MSDS | / | Flash Point | 273.6ºC |
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Names
| Name | digitalin |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.42g/cm3 |
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| Boiling Point | 889.4ºC at 760 mmHg |
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| Molecular Formula | C36H56O14 |
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| Molecular Weight | 712.82100 |
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| Flash Point | 273.6ºC |
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| Exact Mass | 712.36700 |
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| PSA | 214.06000 |
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| Index of Refraction | 1.615 |
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| InChIKey | CKNOLMVLQUPVMU-YMMLYESFSA-N |
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| SMILES | COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- IH2030000
- CHEMICAL NAME :
- Digitalum verum
- CAS REGISTRY NUMBER :
- 752-61-4
- LAST UPDATED :
- 199509
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C36-H56-O14
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 1332 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 111,365,1954
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Bird - pigeon
- DOSE/DURATION :
- 460 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963 Volume(issue)/page/year: -,44,1963
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Synonyms
| (3β,5β,16β)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-β-D-g alactopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide |
