Introduction：Basic information about CAS 561-94-4|Ergosinine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ergosinine |
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| CAS Number | 561-94-4 | Molecular Weight | 547.645 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 861.4±65.0 °C at 760 mmHg |
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| Molecular Formula | C30H37N5O5 | Melting Point | / |
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| MSDS | / | Flash Point | 474.7±34.3 °C |
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Names
| Name | ergosine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 861.4±65.0 °C at 760 mmHg |
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| Molecular Formula | C30H37N5O5 |
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| Molecular Weight | 547.645 |
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| Flash Point | 474.7±34.3 °C |
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| Exact Mass | 547.279480 |
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| PSA | 118.21000 |
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| LogP | 3.20 |
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| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
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| Index of Refraction | 1.700 |
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| InChIKey | NESVMZOPWPCFAU-ZPRCMDFASA-N |
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| SMILES | CC(C)CC1C(=O)N2CCCC2C2(O)OC(C)(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)C(=O)N12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KE7200000
- CHEMICAL NAME :
- Ergosine
- CAS REGISTRY NUMBER :
- 561-94-4
- BEILSTEIN REFERENCE NO. :
- 0102152
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C30-H37-N5-O5
- MOLECULAR WEIGHT :
- 547.72
- WISWESSER LINE NOTATION :
- T C6656 1A P GN LM IHT&&&J G1 EVM- DT B565 CO EVN HVNTJ BQ D1 G1Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 33,1552,1977
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Safety Information
| RIDADR | UN 1544 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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Synonyms
| 12'-hydroxy-5'-isobutyl-2'-methyl-ergotamane-18,3',6'-trione |
| Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'α)- |
| Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'- (2-methylpropyl)-, (5'α)- |
| Ergoclavine |
| (5'α)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman |
| Ergotaman, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxo-, (5'α)- |
| α-Ergosine |
| (5'α,10α)-9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione |
| Ergosinine |
| Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)- |
| Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'α,10α)- |
| 12'-Hydroxy-2'-methyl-5'a-(2-methylpropyl)ergotaman-3',6',18-trione |
| (5'α)-12'-Hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman |
