Tianeptine sodium
Properties
- Molecular formula
- C21H24ClN2NaO4S
- Molar mass
- 458.93 g/mol
- Exact mass
- 458.1043 Da
- Melting point
- 180 °C
- logP
- 3.81Crippen estimate
- Polar surface area
- 86.7 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 8
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
30123-17-2SMILES
CN1c2ccccc2C(NCCCCCCC([O-])=O)c2ccc(Cl)cc2S1(=O)=O.[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Heptanoic acid, 7-[(3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]-, sodium salt (1:1)
- Heptanoic acid, 7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]-, S,S-dioxide, monosodium salt
- Heptanoic acid, 7-[(3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]-, monosodium salt
- Dibenzo[c,f][1,2]thiazepine, heptanoic acid deriv.
- Tianeptine sodium salt
- Stablon
- Sodium 7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate S,S-dioxide
Work with Tianeptine sodium
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, ethyl ester66981-77-971 % similar
3,11-Dichloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepine 5,5-dioxide26638-66-450 % similar
Sodium N-[8-(2-hydroxybenzoyl)amino]caprylate203787-91-135 % similar
Sodium phenylbutyrate1716-12-732 % similar
Sodium (2,4-dichlorophenoxy)acetate2702-72-930 % similar
Disodium sebacate17265-14-430 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.