(±)-7-[(3-Chlor-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptansure-S,S-dioxid
Bezeichnung:(±)-7-[(3-Chlor-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptansure-S,S-dioxid
CAS-Nr72797-41-2
Englisch Name:Tianeptine
CBNumberCB0504881
SummenformelC21H25ClN2O4S
Molgewicht436.95
MOL-Datei72797-41-2.mol
Synonyma
(±)-7-[(3-Chlor-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptansure-S,S-dioxid
(±)-7-[(3-Chlor-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptansure-S,S-dioxid physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 129-131?C |
| Siedepunkt | 609.2±65.0 °C(Predicted) |
| Dichte | 1.38±0.1 g/cm3(Predicted) |
| Dampfdruck | 0.001Pa at 25℃ |
| storage temp. | Refrigerator, Under Inert Atmosphere |
| pka | 4.75±0.10(Predicted) |
| Aggregatzustand | solid |
| InChIKey | JICJBGPOMZQUBB-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCNC1C2=CC=C(Cl)C=C2S(=O)(=O)N(C)C2=CC=CC=C21 |
| LogP | 2.162 at 25℃ and pH6 |
