- Ergotoxine
- Ergotoxine ethansulfonate
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| Name |
Ergotoxine |
EINECS | N/A |
| CAS No. | 8006-25-5 | Density | 1.47g/cm3 |
| PSA | 121.70000 | LogP | 1.66960 |
| Solubility | N/A | Melting Point |
~190° (dec) (solvent-free base) |
| Formula | C98H119N15O15 | Boiling Point | 865.2oC at 760 mmHg |
| Molecular Weight | 1747.08 | Flash Point | 477.1oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous and subcutaneous routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotoxine deriv.;Indolo[4,3-fg]quinoline, ergotoxine deriv.;Ecboline;Ergotoxin; |
Ergotoxine Specification
The Ergotoxine , its cas register number is 8006-25-5. The enthalpy of vaporization about it is 131.74 kJ/mol, vapour pressure is 6.08E-32 mmHg at 25°C . The surface tension about it is 79.9 dyne/cm . Product Categories about this chemicals are Monovalent Ion Channels; Potassium Channel Modulators; Voltage-gated Ion Channels .
The Ergotoxine is lyophilized powder. It can be used as intermediate in organic synthesis.
This chemicals can be described computed from structure:
1) SMILES: CC(C)C1(C(=O)N2CC(=O)N3CCCC3C2(O1)O)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67C5=C4)C
2) InChI: InChI=1S/C28H33N5O5/c1-15(2)27(26(36)33-14-23(34)32-9-5-8-22(32)28(33,37)38-27)30-25(35)17-10-19-18-6-4-7-20-24(18)16(12-29-20)11-21(19)31(3)13-17/h4,6-7,10,12,15,17,21-22,29,37H,5,8-9,11,13-14H2,1-3H3,(H,30,35)/t17-,21-,22+,27-,28+/m1/s1 R18 :In use, may form inflammable/explosive vapour-air mixture.
The most important thing about Ergotoxine is the toxicity, following is the form:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| man | TDLo | intravenous | 3570ng/kg (0.00357mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Handbuch der Experimentellen Pharmakologie. Vol. 6, Pg. 107, 1938. |
| mouse | LD50 | intravenous | 33mg/kg (33mg/kg) | BEHAVIORAL: ATAXIA CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: DYSPNEA | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 285, 1948. |
| mouse | LDLo | subcutaneous | 107mg/kg (107mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 176, Pg. 171, 1934. | |
| rabbit | LDLo | intravenous | 1500ug/kg (1.5mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Handbuch der Experimentellen Pharmakologie. Vol. 6, Pg. 104, 1938. |
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