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CAS No.: | 57132-53-3 |
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Name: | PROGLUMETACIN MALEATE |
Molecular Structure: | |
Formula: | C46H58ClN5O8 |
Molecular Weight: | 844.448 |
Synonyms: | 1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethylester, (?à)-;Proglumetacin; |
EINECS: | 261-656-3 |
Density: | 1.22 g/cm3 |
Boiling Point: | 900.4 °C at 760 mmHg |
Flash Point: | 498.3 °C |
PSA: | 139.72000 |
LogP: | 6.43090 |
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The CAS register number of Proglumetacin is 57132-53-3. It also can be called as 1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethylester and the IUPAC name about this chemical is 3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate. The molecular formula about this chemical is C46H58ClN5O8 and the molecular weight is 844.4344. Classification code about this chemical are Analgesics, Analgesics, Non-Narcotic, Anti-Inflammatory Agents, Anti-Inflammatory Agents, Non-Steroidal, Antirheumatic Agents, Peripheral Nervous System Agents and Sensory System Agents. This chemical is a non-steroidal anti-inflammatory drug and it can help prevent injury to the stomach lining.
Physical properties about Proglumetacin are: (1)ACD/LogP: 6.35; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 5.18; (4)ACD/LogD (pH 7.4): 6.28; (5)ACD/BCF (pH 5.5): 2688.96; (6)ACD/BCF (pH 7.4): 33772.38; (7)ACD/KOC (pH 5.5): 4616.02; (8)ACD/KOC (pH 7.4): 57975.71; (9)#H bond acceptors: 13; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 130.93Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 232.97 cm3; (15)Molar Volume: 687.6 cm3; (16)Polarizability: 92.35x10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Enthalpy of Vaporization: 130.93 kJ/mol; (19)Boiling Point: 900.4 °C at 760 mmHg; (20)Vapour Pressure: 3.59E-33 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)OCCN4CCN(CC4)CCCOC(=O)CCC(C(=O)N(CCC)CCC)NC(=O)c5ccccc5
(2)InChI: InChI=1/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)
(3)InChIKey: PTXGHCGBYMQQIG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)
(5)Std. InChIKey: PTXGHCGBYMQQIG-UHFFFAOYSA-N