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CAS No.: | 26839-77-0 |
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Name: | D-Timolol maleate |
Molecular Structure: | |
Formula: | C13H24N4O3S.C4H4O4 |
Molecular Weight: | 432.4918 |
Synonyms: | (+)-3-(3-(tert-Butylamino)-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole maleate;1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (2Z)-but-2-enedioate (salt); |
EINECS: | 248-034-7 |
Boiling Point: | 487.2 °C at 760 mmHg |
Flash Point: | 248.5 °C |
PSA: | 182.58000 |
LogP: | 0.67020 |
The CAS register number of D-Timolol maleate is 26839-77-0. It also can be called as (+)-3-(3-(tert-Butylamino)-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole maleate and the IUPAC name about this chemical is (Z)-but-2-enedioate; 1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol. The molecular formula about this chemical is C13H24N4O3S.C4H4O4 and the molecular weight is 432.49.
Physical properties about D-Timolol maleate are: (1)ACD/LogP: 0.20; (2)#H bond acceptors: 7; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 88.19Å2; (6)Flash Point: 248.5 °C; (7)Enthalpy of Vaporization: 79.32 kJ/mol; (8)Boiling Point: 487.2 °C at 760 mmHg; (9)Vapour Pressure: 2.62E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/C(=O)O.OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C
(2)InChI: InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
(3)InChIKey: WLRMANUAADYWEA-BTJKTKAUBI
(4)Std. InChI: InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
(5)Std. InChIKey: WLRMANUAADYWEA-BTJKTKAUSA-N