
CAS Number66981-73-5
SynonymsTianeptina; Stablon; Tianeptinum; 7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; MFCD00865376; COAXIL; Tianeptina [inn-spanish]; Tianeptine; Tianeotine
Molecular FormulaC21H25ClN2O4S
Molecular Weight458.93 (anhydrous basis)
Purity≥98 (HPLC)%
Density1.4±0.1 g/cm3
Boiling Point609.2±65.0 °C at 760 mmHg
Melting Point129-131°C
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 66981-73-5 |
| Catalog No. | 2A-9012704 |
| Chinese Name | 噻奈普汀 |
| Synonyms | Tianeptina; Stablon; Tianeptinum; 7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; MFCD00865376; COAXIL; Tianeptina [inn-spanish]; Tianeptine; Tianeotine |
| Molecular Formula | C21H25ClN2O4S |
| Molecular Weight | 458.93 (anhydrous basis) |
| Purity | ≥98 (HPLC) |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 609.2±65.0 °C at 760 mmHg |
| Melting Point | 129-131°C |
| Appearance | powder |
| Storage Condition | Room Temperature |
| Packaging | III |
| PubChem ID | 24899985 |
| SMILES | O.[Na+].CN1c2ccccc2C(NCCCCCCC([O-])=O)c3ccc(Cl)cc3S1(=O)=O |
| InChI | 1S/C21H25ClN2O4S.Na.H2O/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28;;/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26);;1H2/q;+1;/p-1 |
| InChI Key | HNTRDGDHBBFLPG-UHFFFAOYSA-M |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/12704_1_66981_73_5.pdf |
| Transport Info | Product name: Tianeptine |
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