Systematic Name: 1,1-Diethyl-3-[(8alpha)-6-propylergolin-8-yl]urea
Synonyms of N,N-Diethyl-N'-((8-α)-6-propylergolin-8-yl)urea (CAS NO.77650-95-4): 1-((5R,8S,10R)-6-Propyl-8-ergolinyl)-3,3-diethylurea ; N,N-Diethyl-N'-((8-alpha)-6-propylergolin-8-yl)urea ; Protergurida ; Proterguridum ; 1,1-Diethyl-3-(6-propylergolin-8alpha-yl)urea ; Urea, N,N-diethyl-N'-((8-alpha)-6-propylergolin-8-yl)- ; Urea, N,N-diethyl-N'-((8alpha)-6-propylergolin-8-yl)-
InChI: InChI=1/C22H32N4O/c1-4-10-26-14-16(24-22(27)25(5-2)6-3)12-18-17-8-7-9-19-21(17)15(13-23-19)11-20(18)26/h7-9,13,16,18,20,23H,4-6,10-12,14H2,1-3H3,(H,24,27)/t16-,18+,20+/m0/s1
InChIKey: FCRJELOYDVBTGW-ILZDJOREBV
Std. InChI: InChI=1S/C22H32N4O/c1-4-10-26-14-16(24-22(27)25(5-2)6-3)12-18-17-8-7-9-19-21(17)15(13-23-19)11-20(18)26/h7-9,13,16,18,20,23H,4-6,10-12,14H2,1-3H3,(H,24,27)/t16-,18+,20+/m0/s1
Std. InChIKey: FCRJELOYDVBTGW-ILZDJORESA-N
CAS NO: 77650-95-4
Molecular Formula: C22H32N4O
Molecular Weight: 368.5157
Molecular Structure :
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 31.72Å2
Index of Refraction: 1.622
Molar Refractivity: 110.43 cm3
Molar Volume: 313.3 cm3
Surface Tension: 54.1 dyne/cm
Density: 1.17 g/cm3
Flash Point: 318.4 °C
Enthalpy of Vaporization: 89.69 kJ/mol
Boiling Point: 602.9 °C at 760 mmHg
Vapour Pressure: 1.73E-14 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 37mg/kg (37mg/kg) | Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 2983, 1987. |
Poison by intravenous route. Experimental reproductive effects. When N,N-Diethyl-N'-((8-α)-6-propylergolin-8-yl)urea (CAS NO.77650-95-4) is heated to decomposition, it emits toxic fumes of NOx.
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