Tianeptine structure, CAS 66981-73-5

Tianeptine

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

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9012704 Purity: ≥98 (HPLC)%
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Quality Control of [ 66981-73-5 ] Purity: ≥98 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number66981-73-5
Catalog No.2A-9012704
Chinese Name噻奈普汀
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
Storage ConditionRoom Temperature
PackagingIII
PubChem ID24899985
SMILESO.[Na+].CN1c2ccccc2C(NCCCCCCC([O-])=O)c3ccc(Cl)cc3S1(=O)=O
InChI1S/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 KeyHNTRDGDHBBFLPG-UHFFFAOYSA-M
NACRES CodeNA.77
UNSPSC12352200
Hazard Symbols6.1(b)
MSDSmsds/12704_1_66981_73_5.pdf
Transport InfoProduct name: Tianeptine
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