Thenalidine
CAS Number: 86-12-4
Molecular Mass: 286.4 g/mol
Formula: C17H22N2S
Smiles: CN1CCC(N(Cc2cccs2)c2ccccc2)CC1
Synonymes:
Thenalidine, Thenophenopiperidine, 86-12-4, Thenaldine, 1-Methyl-4-N-2-thenylanilinopiperidine, Tenalidina, Thenalidinum, 1-Methyl-4-amino-N-phenyl-N-(2-thenyl)piperidine, DTXSID1048835, 4-Piperidinamine, 1-methyl-N-phenyl-N-(2-thienylmethyl)-, 1-Methyl-N-phenyl-N-[(thiophen-2-yl)methyl]piperidin-4-amine, 1-methyl-4-(N-2-thenylanilino)piperidine, 6U94N2D00F, DTXCID8028761, 1-methyl-N-phenyl-N-((thiophen-2-yl)methyl)piperidin-4-amine, RefChem:189163, D04AA03, R06AX03, 201-651-5, Sanbosten, 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine, Piperidine, 1-methyl-4-(N-2-thenylanilino)-, Thenalidine (INN), thenalidin, NCGC00183847-01, THENALIDINE [INN], Tenalidina [INN-Spanish], Thenalidinum [INN-Latin], Sanbosten, Sandostene, Thenaldine, Thenalidin, Thenophenopiperidine, Thenalidine [INN:BAN], EINECS 201-651-5, AS 716, BRN 0244448, UNII-6U94N2D00F, THENALDINE [MI], SCHEMBL29498, THENALIDINE [WHO-DD], 4-22-00-03760 (Beilstein Handbook Reference), CHEMBL2105458, CHEBI:135187, Tox21_113317, EBC-26455, DB04826, CAS-86-12-4, NS00006482, D07194, H20720, EN300-18563901, Q6578796, N-(1-Methyl-4-piperidinyl)-N-phenyl-N-(2-thienylmethyl)amine #, Thenalidine, 4-Piperidinamine, 1-methyl-N-phenyl-N-(2-thienylmethyl)-, 2-Thenylamine, N-(1-methyl-4-piperidyl)-N-phenyl- (5CI), Piperidine, 1-methyl-4-(N-2-thenylanilino)- (8CI), Piperidine, 1-methyl-4-N-thenylanilino- (6CI), 1-Methyl-N-phenyl-N-(2-thienylmethyl)-4-pi
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Dimethylformamide | 278.15 | - | 26.82 | [474] |
| Dimethylformamide | 283.15 | - | 30.08 | [474] |
| Dimethylformamide | 288.15 | - | 33.2 | [474] |
| Dimethylformamide | 293.15 | - | 36.43 | [474] |
| Dimethylformamide | 298.15 | - | 40.4 | [474] |
| Dimethylformamide | 303.15 | - | 44.27 | [474] |
| Dimethylformamide | 308.15 | - | 48.85 | [474] |
| Dimethylformamide | 313.15 | - | 53.02 | [474] |
| Dimethylformamide | 318.15 | - | 58.35 | [474] |
| Dimethylformamide | 323.15 | - | 64.19 | [474] |
| Water | 278.15 | - | 0.4173 | [474] |
| Water | 283.15 | - | 0.4507 | [474] |
| Water | 288.15 | - | 0.4853 | [474] |
| Water | 293.15 | - | 0.5329 | [474] |
| Water | 298.15 | - | 0.5905 | [474] |
| Water | 303.15 | - | 0.658 | [474] |
| Water | 308.15 | - | 0.7306 | [474] |
| Water | 313.15 | - | 0.8028 | [474] |
| Water | 318.15 | - | 0.8912 | [474] |
| Water | 323.15 | - | 0.99 | [474] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1047.3651 |
| PMI2 | 2743.6882 |
| PMI3 | 3243.8415 |
| NPR1 | 0.3229 |
| NPR2 | 0.8458 |
| RadiusOfGyration | 3.5042 |
| InertialShapeFactor | 0.0008 |
| Eccentricity | 0.9464 |
| Asphericity | 0.3214 |
| SpherocityIndex | 0.3492 |
| PBF | 1.0845 |