Trimethidinium methosulfate
PubChem CID: 26483
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| Compound Synonyms | Trimethidinium methosulfate, 14149-43-0, TRIMETHIDINIUM METHOSULPHATE, C1O32IJ4HS, Trimethidinium methyl sulfate, Camphidonium, DTXSID8046115, Ostensin, Euprex, 1,3,8,8-Tetramethyl-3-(3-(trimethylammonio)propyl)-3-azoniabicyclo(3.2.1)octane bis(methyl sulfate), Trimethidinium methosulfate [INN], NCGC00160374-01, EINECS 237-994-2, HA 106, UNII-C1O32IJ4HS, WY-1395, Wy 1395, Trimethidinium methosulfate [INN:NF], Trimethidinium-methosulfat, N-(3-Trimethylammoniumpropyl)-N-methylcamphidinium bis(methylsulfate), N-(gamma-Trimethylammoniumpropyl)-N-methyl-camphidinium-dimethylsulphate, Metosulfato de trimetidinio, 3-(3-(Dimethylamino)propyl)-1,3,8,8-tetramethyl-3-azoniabicyclo(3.2.1)octane methyl sulfate, Methosulfate de trimethidinium, SCHEMBL309185, CHEMBL2107688, DTXCID6026115, METHOCAMPHONE METHYLSULFATE, ZOSQTCOGKFRDET-UHFFFAOYSA-L, Tox21_111770, TRIMETHIDINIUM METHOSULFATE [MI], TRIMETHIDINIUM METHOSULFATE [JAN], 3-Azoniabicyclo(3.2.1)octane, 1,3,8,8-tetramethyl-3-(3-(trimethylammonio)propyl)-, bis(methyl sulfate), METHYL SULFATE, TRIMETHYL-[3-(1,3,8,8-TETRAMETHYL-3-AZONIABICYCLO[3.2.1]OCTAN-3-YL)PROPYL]AZANIUM, S,S'-Dimethyl 1,3,8,8-tetramethyl-3-(3-(trimethylammonio)propyl)-3-azoniabicyclo(3.2.1)octane disulphate, CAS-14149-43-0, NS00024586, Q27275063 |
|---|---|
| Topological Polar Surface Area | 150.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NUW8 |
| Iupac Name | methyl sulfate, trimethyl-[3-(1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octan-3-yl)propyl]azanium |
| Prediction Hob | 0.0 |
| Molecular Formula | C19H42N2O8S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOSQTCOGKFRDET-UHFFFAOYSA-L |
| Fcsp3 | 1.0 |
| Logs | 0.321 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.531 |
| Compound Name | Trimethidinium methosulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.238 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.238 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 490.7 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3493470000000016 |
| Inchi | InChI=1S/C17H36N2.2CH4O4S/c1-16(2)15-9-10-17(16,3)14-19(7,13-15)12-8-11-18(4,5)6, 2*1-5-6(2,3)4/h15H,8-14H2,1-7H3, 2*1H3,(H,2,3,4)/q+2, , /p-2 |
| Smiles | CC1(C2CCC1(C[N+](C2)(C)CCC[N+](C)(C)C)C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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