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| CAS No.: | 33396-37-1 |
|---|---|
| Name: | meproscillarin |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C31H44 O8 |
| Molecular Weight: | 544.686 |
| Synonyms: | Bufa-4,20,22-trienolide,3b-[(6-deoxy-4-O-methyl-a-L-mannopyranosyl)oxy]-14-hydroxy-(8CI); Clift; Meproscillarin; Methyl proscillaridin; Methyl proscillaridin A;Proscillaridin 4-methyl ether |
| Density: | 1.29g/cm3 |
| Melting Point: | 213-217℃ |
| Boiling Point: | 709.8°Cat760mmHg |
| Flash Point: | 227.5°C |
| Safety: | Poison by ingestion and intravenous routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 118.59000 |
| LogP: | 3.66790 |
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Chemistry
IUPAC Name: 5-[(3S,10R,13R,14S,17R)-3-[(2S,5R)-3,4-Dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Synonyms of Meproscillarin (CAS NO.33396-37-1): 14-Hydroxy-3-beta-((4-O-methyl-alpha-L-rhamnopyranosyl)oxy)-14-beta-bufa-4,20,22-trienlid ; 3beta-((6-Deoxy-4-O-methyl-alpha-L-mannopyranosyl)oxy)-14-hydroxybufa-4,20,22-trienolide ; 4-O-Methyl proscillaridin ; Meproscilarina ; Meproscillarine ; Meproscillarinum ; Proscillaridin-4'-methyl ether ; Rambufaside ; 14-beta-Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-methyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-
CAS NO: 33396-37-1
Molecular Formula: C31H44O8
Molecular Weight : 544.6763
Molecular Structure: .png)
EINECS: 251-493-6
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 7
Polar Surface Area: 81.68 Å2
Index of Refraction: 1.599
Molar Refractivity: 144.12 cm3
Molar Volume: 421.5 cm3
Surface Tension: 57 dyne/cm
Density: 1.29 g/cm3
Flash Point: 227.5 °C
Enthalpy of Vaporization: 118.61 kJ/mol
Boiling Point: 709.8 °C at 760 mmHg
Vapour Pressure: 2.81E-23 mmHg at 25°C
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | intravenous | 137ug/kg (0.137mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 495, 1978. | |
| guinea pig | LDLo | intravenous | 678ug/kg (0.678mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 495, 1978. | |
| mouse | LD50 | intravenous | 2800ug/kg (2.8mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 506, 1978. |
| mouse | LD50 | oral | 12500ug/kg (12.5mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 506, 1978. |
| rat | LD50 | intravenous | 5800ug/kg (5.8mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 506, 1978. |
| rat | LD50 | oral | 79mg/kg (79mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 506, 1978. |
Safety Profile
Poison by ingestion and intravenous routes. Experimental reproductive effects. When Meproscillarin (CAS NO.33396-37-1) is heated to decomposition, it emits acrid smoke and irritating fumes.