Timolol maleate
CAS Number: 26921-17-5
Molecular Mass: 432.5 g/mol
Formula: C17H28N4O7S
Smiles: CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O
Synonymes:
Timolol maleate, 26921-17-5, Istalol, Timoptic-XE, Timoptic in Ocudose, Aquanil, Ophtamolol, Timolol (as maleate), Timololi maleas, Timolol hydrogen maleate salt, Timolol maleate, s-enantiomer, wp-934, P8Y54F701R, NSC-757351, CHEBI:9600, (-)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol maleate (1:1) (salt), 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, (S)-, (Z)-2-butenedioate (1:1) (salt), DUOTRAV COMPONENT TIMOLOL MALEATE, GANFORT COMPONENT TIMOLOL MALEATE, XALACOM COMPONENT TIMOLOL MALEATE, Timolol GFS, Timoptic Xe, RefChem:56550, Timolol Maleate Ophthalmic, Timolol Maleate, (1:1) Salt, timolol maleate ophthalmic gel forming, Timolol Maleate Ophthalmic Gel Forming Solution, Timolol Maleate Ophthalmic Gel Forming Solution 0.5%, Timolol Maleate Ophthalmic Gel Forming Solution 0.25%, Timolol Maleate Ophthalmic Gel Forming Solution, 0.25%, Timolol Maleate Ophthalmic Gel Forming Solution, 0.5%, (2S)-1-((1,1-Dimethylethyl)amino)-3-(4-morpholin-4-yl-1,2,5-thiadiazol-3-yloxy)propan-2-ol monomaleate, (S)-Timolol maleate, Blocadren, Timolol maleate salt, Timoptic, Timolol hydrogen maleate, (S)-Timolol hydrogen maleate, (S)-Timolol (Maleate), MFCD00058356, MLS000028539, 60469-65-0, DTXSID3047504, (-)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol maleate, SMR000058305, Timacor, Betime, l-Timolol maleate, (Z)-but-2-enedioic acid, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, C17H28N4O7S, (S)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol maleate, (S)-(-)-Timolol Maleate, CCRIS 1057, (S)-3-(3-(tert-Butylamino)-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole monomaleate, S-(-)-1-(t-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]-2-propanol maleate salt, EINECS 248-111-5, MK 950, CAS-26921-17-5, Optimol, UNII-P8Y54F701R, Blocadren, , Timoptic, , Timoptol, , Betimol, , Istalol, , Betime, , S-Timolol maleate, Blocadren (TN), Timolol maleate [USAN:USP:JAN], Timolol maleate RS, Timoptic (TN), 50929-98-1, EINECS 262-251-4, Istalol (TN), Timolol maleate CRS, Bimatoprost / timolol, Timolol hydrogenmaleate, Opera_ID_1256, SCHEMBL26233, MLS001076135, orb342096, TIMOLOL MALEATE [JAN], Timolol maleate (JP17/USP), TIMOLOL MALEATE [USAN], orb3029223, TIMOLOL MALEATE [VANDF], CHEMBL1200870, DTXCID1027504, TIMOLOL MALEATE [MART.], TIMOLOL MALEATE [USP-RS], TIMOLOL MALEATE [WHO-DD], TIMOLOL MALEATE [WHO-IP], HMS1570N18, HMS2097N18, HMS2230N19, HMS2234F03, HMS3411M12, HMS3675M12, HMS3714N18, HMS3885L05, Timolol for system suitability CRS, (S)-Timolol (maleate) (Standard), MSK10073, Tox21_302468, EBC-13256, HY-17380R, s4123, TIMOLOL MALEATE [ORANGE BOOK], AKOS024458595, S-Timolol maleate - Bio-X trade mark, TIMOLOL MALEATE [EP MONOGRAPH], TIMOLOL MALEATE [USP IMPURITY], CCG-220948, COSOPT COMPONENT TIMOLOL MALEATE, FB63311, NSC 757351, TIMOLOL MALEATE [USP MONOGRAPH], TIMOLOLI MALEAS [WHO-IP LATIN], (S)-3-(3-(tert-bUtylamino)-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole maleate, COMBIGAN COMPONENT TIMOLOL MALEATE, NCGC00256737-01, 2-Propanol, 1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-, (-)-, maleate (1:1) (salt), 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2S)-, (2Z)-2-butenedioate (1:1) (salt), AS-18090, BS164420, DA-48870, HY-17380, SMR000653470, SY284912, TIMOLOL HYDROGEN MALEATE SALT [MI], NS00084740, Timolol maleate salt, >=98% (TLC), powder, D00603, F20622, TIMOLOL MALEATE, S-ENANTIOMER [WHO-DD], EN300-21680303, SR-01000003102, SR-01000003102-3, Q27108445, Timolol Maleate 1.0 mg/ml in Methanol (as free base), Timolol maleate, British Pharmacopoeia (BP) Reference Standard, Timolol maleate, European Pharmacopoeia (EP) Reference Standard, Timolol maleate, United States Pharmacopeia (USP) Reference Standard, (S)-1-tert-Butylamino-3-(4-morpholin-4-yl-[1,2,5]thiadiazol-3-yloxy)-propan-2-ol maleate, Timolol for system suitability, European Pharmacopoeia (EP) Reference Standard, (2S)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, maleic acid, (2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol (2Z)-but-2-enedioate, (2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol, (2Z)-but-2-enedioic acid, (2Z)-But-2-enedioic acid--(2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol (1/1)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 278.3 | - | 1.34 | [351] |
| 1-Butanol | 281.7 | - | 1.62 | [351] |
| 1-Butanol | 284.8 | - | 1.81 | [351] |
| 1-Butanol | 289.6 | - | 2.32 | [351] |
| 1-Butanol | 303.2 | - | 3.51 | [351] |
| 1-Butanol | 305.1 | - | 4.07 | [351] |
| 1-Butanol | 309.1 | - | 4.751 | [351] |
| 1-Butanol | 316.3 | - | 6.664 | [351] |
| 1-Butanol | 321.4 | - | 8.2 | [351] |
| 1-Butanol | 328.7 | - | 11.49 | [351] |
| Acetone | 281.1 | - | 2.877 | [351] |
| Acetone | 288.3 | - | 3.32 | [351] |
| Acetone | 292.8 | - | 3.83 | [351] |
| Acetone | 301.9 | - | 5.18 | [351] |
| Acetone | 313.3 | - | 6.922 | [351] |
| Acetone | 323.1 | - | 9.361 | [351] |
| Ethanol | 280.1 | - | 7.903 | [351] |
| Ethanol | 285.0 | - | 8.99 | [351] |
| Ethanol | 290.8 | - | 10.79 | [351] |
| Ethanol | 302.3 | - | 15.96 | [351] |
| Ethanol | 312.8 | - | 23.2 | [351] |
| Ethanol | 322.7 | - | 33.93 | [351] |
| Ethanol | 329.8 | - | 46.38 | [351] |
| Isopropanol | 279.5 | - | 0.746 | [351] |
| Isopropanol | 282.9 | - | 0.801 | [351] |
| Isopropanol | 290.9 | - | 1.02 | [351] |
| Isopropanol | 293.6 | - | 1.41 | [351] |
| Isopropanol | 298.8 | - | 2.08 | [351] |
| Isopropanol | 313.7 | - | 3.3 | [351] |
| Isopropanol | 321.7 | - | 5.315 | [351] |
| Isopropanol | 330.1 | - | 7.764 | [351] |
| Water | 286.0 | - | 59.04 | [351] |
| Water | 293.1 | - | 66.57 | [351] |
| Water | 300.5 | - | 76.45 | [351] |
| Water | 305.0 | - | 84.22 | [351] |
| Water | 313.9 | - | 107.1 | [351] |
| Water | 320.8 | - | 136.2 | [351] |
| Water | 325.8 | - | 165.1 | [351] |
| Water | 327.2 | - | 176.0 | [351] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1048.8323 |
| PMI2 | 5039.2462 |
| PMI3 | 5543.0222 |
| NPR1 | 0.1892 |
| NPR2 | 0.9091 |
| RadiusOfGyration | 3.6669 |
| InertialShapeFactor | 0.0009 |
| Eccentricity | 0.9819 |
| Asphericity | 0.5378 |
| SpherocityIndex | 0.2024 |
| PBF | 0.8725 |