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CAS No.: | 123441-03-2 |
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Name: | Rivastigmine |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C14H22N2O2 |
Molecular Weight: | 400.429 |
Synonyms: | Carbamicacid, ethylmethyl-, 3-[1-(dimethylamino)ethyl]phenyl ester, (S)-;ENA 713 free base;Exelon;S-Rivastigmine;SDZ 212-713; |
EINECS: | 602-936-0 |
Density: | 1.038 g/cm3 |
Boiling Point: | 316.2 °C at 760 mmHg |
Flash Point: | 145 °C |
PSA: | 147.84000 |
LogP: | 0.63710 |
The Rivastigmine is an organic compound with the formula C14H22N2O2. The IUPAC name of this chemical is [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate. With the CAS registry number 123441-03-2, it is also named as Ethyl-methyl-carbamic acid 3-(1-dimethylamino-ethyl)-phenyl ester. Besides, it is a parasympathomimetic or cholinergic agent for the treatment of mild to moderate dementia of the Alzheimer's type and dementia due to Parkinson's disease.
Physical properties about Rivastigmine are: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): -0.65; (3)ACD/LogD (pH 7.4): 0.93; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.55; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 21.64; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.518; (12)Molar Refractivity: 73.12 cm3; (13)Molar Volume: 241.1 cm3; (14)Polarizability: 28.98×10-24cm3; (15)Surface Tension: 36.9 dyne/cm; (16)Density: 1.038 g/cm3; (17)Flash Point: 145 °C; (18)Enthalpy of Vaporization: 55.75 kJ/mol; (19)Boiling Point: 316.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000416 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1cc(ccc1)C(N(C)C)C)N(CC)C
(2)InChI: InChI=1/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3
(3)InChIKey: XSVMFMHYUFZWBK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3
(5)Std. InChIKey: XSVMFMHYUFZWBK-UHFFFAOYSA-N