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CAS No.: | 209394-46-7 |
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Name: | Ladostigil tartrate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | 2(C16H20N2O2).C4H6O6 |
Molecular Weight: | 694.782 |
Synonyms: | Carbamic acid, ethylmethyl-, (3R)-2,3-dihydro-3-(2-propynylamino)-1H-inden-5-yl ester, (2R,3R)-2,3-dihydroxybutanedioate (2:1);TV 3326;TV-3326;Ladostigil Tartrate [USAN];(3R)-3-(Prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl ethylmethylcarbamate (2R,3R)-tartarate (2:1); |
Boiling Point: | 412.4 °C at 760 mmHg |
Flash Point: | 203.2 °C |
PSA: | 198.20000 |
LogP: | 3.35360 |
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The CAS register number of Ladostigil tartrate is 209394-46-7. It also can be called as Ethylmethyl-carbamic acid (3R)-2,3-dihydro-3-(2-propynylamino)-1H-inden-5-yl ester (2R,3R)-2,3-dihydroxybutanedioate (2:1) and the IUPAC name about this chemical is (2R,3R)-2,3-dihydroxybutanedioic acid; [(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate. The molecular formula about this chemical is 2(C16H20N2O2).C4H6O6 and molecular weight is 694.78.
Physical properties about Ladostigil tartrate are: (1)ACD/LogP: 2.08 ; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 32.78Å2; (6)Flash Point: 203.2 °C; (7)Enthalpy of Vaporization: 66.5 kJ/mol; (8)Boiling Point: 412.4 °C at 760 mmHg; (9)Vapour Pressure: 5.19E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(Oc1ccc2c(c1)[C@H](NCC#C)CC2)N(CC)C.O=C(Oc1ccc2c(c1)[C@H](NCC#C)CC2)N(CC)C
(2)InChI: InChI=1/2C16H20N2O2.C4H6O6/c2*1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2;5-1(3(7)8)2(6)4(9)10/h2*1,6,8,11,15,17H,5,7,9-10H2,2-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*15-;1-,2-/m111/s1
(3)InChIKey: PRLVBVAJMQZMJN-OGOSNNLPBY
(4)Std. InChI: InChI=1S/2C16H20N2O2.C4H6O6/c2*1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2;5-1(3(7)8)2(6)4(9)10/h2*1,6,8,11,15,17H,5,7,9-10H2,2-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*15-;1-,2-/m111/s1
(5)Std. InChIKey: PRLVBVAJMQZMJN-OGOSNNLPSA-N