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| CAS No.: | 129-49-7 |
|---|---|
| Name: | METHYSERGIDE MALEATE |
| Molecular Structure: | |
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|
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| Formula: | C21H27N3O2•C4H4O4 |
| Molecular Weight: | 469.538 |
| Synonyms: | 1-(hydroxymethyl)propylamideof1-methyl-(+)-lysergicacidhydrogenmaleate;deseril-retard;ergoline-8-beta-carboxamide,9,10-didehydro-n-(1-(hydroxymethyl)propyl)-1,6-dim;maleate(1:1)(salt);methysergidebimaleate;methysergidedimaleate;methysergidehydrogenmaleate;n-((1-hydroxymethyl)propyl)-1-methyl-lysergamidmaleate |
| EINECS: | 204-950-9 |
| Density: | 1.28g/cm3 |
| Boiling Point: | 634.4 °C at 760 mmHg |
| Flash Point: | 337.5 °C |
| Solubility: | DMSO: >10 mg/mL |
| Appearance: | white to off-white |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25 |
| Safety: | Poison by ingestion and intravenous routes. Experimental reproductive effects. Human mutation effects reported. When heated to decomposition it emits toxic fumes of NOx. |
| Transport Information: | UN 2811 6 |
| PSA: | 132.10000 |
| LogP: | 1.97570 |
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- 129-49-7
methysergide maleate
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In methanol at 20℃; under 3750.38 Torr; Autoclave; | 85% |
- 129-49-7
methysergide maleate
- 1615738-02-7
(6aR,9R)-5-bromo-N-((S)-1-hydroxybutan-2-yl)-4,7-dimethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
| Conditions | Yield |
|---|---|
| Stage #1: methysergide maleate With sodium hydrogencarbonate In dichloromethane Stage #2: With trimethylsilyl bromide In dimethyl sulfoxide at 20℃; for 0.166667h; | 73% |
| With trimethylsilyl bromide In dimethyl sulfoxide at 20℃; for 0.166667h; |
| Conditions | Yield |
|---|---|
| With sulfuric acid at -20℃; for 2h; Inert atmosphere; Irradiation; | 12% |
- 129-49-7
methysergide maleate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: palladium on activated charcoal; hydrogen / methanol / 20 °C / 3750.38 Torr / Autoclave 2: trimethylsilyl bromide / dimethyl sulfoxide / 0.17 h / 20 °C View Scheme |
- 129-49-7
methysergide maleate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: palladium on activated charcoal; hydrogen / methanol / 20 °C / 3750.38 Torr / Autoclave 2: trimethylsilyl bromide / dimethyl sulfoxide / 0.17 h / 20 °C 3: potassium phosphate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,2-dimethoxyethane; water / 90 °C View Scheme |
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Chemistry
Product Name: Methysergide dimaleate
Synonyms of Methysergide dimaleate (CAS NO.129-49-7): Methysergide ; Methysergide maleate [USAN] ; (+)-N-((1-Hydroxymethyl)propyl)-1-methyl-D-lysergamide bimaleate ; 1-(Hydroxymethyl)propylamide of 1-methyl-(+)-lysergic acid hydrogen maleate ; 1-Methyl-D-lysergic acid butanolamide dimaleate ; 9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8beta-carboxamide maleate (1:1) (salt) ; Deseril ; Deseril-retard ; Desernil bismaleate ; EINECS 204-950-9 ; Ergoline-8-carboxamide, 9,10-didehydro-N-(1- (hydroxymethyl)propyl)-1,6-dimethyl-, (8beta)-, (Z)-2-butenedioate (1:1) (salt) ; Lysergamide, N-((1-hydroxymethyl)propyl)-1-methyl-, maleate ; Methysergide bimaleate ; Methysergide hydrogen maleate ; Methysergide maleate ; NSC 186061 ; Sansert ; UNII-2U7H1466GH ; Ergoline-8-beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, maleate(1:1) (salt) ; Ergoline-8-carboxamide, 9,10-didehydro-N-((1S)-1-(hydroxymethyl)propyl)-1,6-dimethyl-, (8beta)-, (2Z)-2-butenedioate (1:1) (salt) ; Ergoline-8beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, maleate (1:2) (salt) (8CI)
CAS NO: 129-49-7
Molecular Formula of Methysergide dimaleate (CAS NO.129-49-7): C25H31N3O6
Molecular Weight: 469.5301
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 37.71 Å2
Flash Point: 337.5 °C
Enthalpy of Vaporization: 98.56 kJ/mol
Boiling Point: 634.4 °C at 760 mmHg
Vapour Pressure: 5.74E-17 mmHg at 25°C
Molecular Structure: .png)
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 185mg/kg (185mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 101, 1972. | |
| mouse | LD50 | oral | 581mg/kg (581mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 101, 1972. | |
| rabbit | LD50 | intravenous | 28mg/kg (28mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 101, 1972. | |
| rat | LD50 | intravenous | 125mg/kg (125mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 101, 1972. | |
| rat | LD50 | oral | 200mg/kg (200mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 101, 1972. |
Safety Profile
Hazard Codes: T
Risk Statements of Methysergide dimaleate (CAS NO.129-49-7): 25
R25: Toxic if swallowed.
Safety Statements: 45
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: KE5410000
HazardClass: 6.1(b)
PackingGroup: III
Poison by ingestion and intravenous routes. Experimental reproductive effects. Human mutation effects reported. When heated to decomposition it emits toxic fumes of NOx.