Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate

Basic Information

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CAS Number

30123-17-2

Molecular Formula

C21H24ClN2NaO4S

Molecular Weight

458.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

182.0 to 186.0 deg-C

Boiling Point

609.2°C at 760 mmHg

Solubility

DMSO: ≥20mg/mL

SMILES

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CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H25ClN2O4S.Na/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);/q;+1/p-1

InChIKey

ZLBSUOGMZDXYKE-UHFFFAOYSA-M

LogP

4.39460

Complexity

660

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

A820215
T3131
Tianeptine sodium salt hydrate
SCHEMBL2433840
Sodium (1)-7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoate S,S-dioxide
AMY393
Stablon
s1436
30123-17-2
Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, S,S-dioxide, monosodium salt, (+)-
FT-0675217
Stablon (TN)
EINECS 250-059-3
7-[(3-Chloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine-11-yl)amino]heptanoic acid S,S dioxide sodium salt hydrate
SODIUM 7-(((11 RS)-3-CHLORO-6-METHYL-6,11-DIHYDRODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)AMINO)HEPTANOATE S,S-DIOXIDE
Tianeptine (sodium salt)
AC-930
CHEMBL2361572
HMS3884O15
HEPTANOIC ACID, 7-((3-CHLORO-6,11-DIHYDRO-6-METHYL-5,5-DIOXIDODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)AMINO)-, MONOSODIUM SALT, (-)-
7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate; sodium
C21H24ClN2NaO4S
169293-32-7
(-)-Tianeptine Monosodium Salt
Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate
DTXCID2026737
SW219882-1
TIANEPTINE SODIUM [WHO-DD]
HY-90003A
DTXSID4046737
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)

MDL Number

MFCD00879851

FAQ

What is Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2)?

Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2) is a complex organic chemical compound containing a thiazepine ring and a heptanoate functional group. It is typically a white crystalline solid with moderate solubility in polar solvents. The compound is known for its structural features, which may make it relevant in pharmaceutical research and development.

What are the main uses of Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2)?

Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2) is primarily used as a pharmaceutical intermediate in the synthesis of drugs targeting neurological disorders. Its chemical structure may also find applications in research for developing new therapeutic agents, and in industrial processes involving organic synthesis.

Is Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2) safe?

Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2) should be handled with standard chemical safety precautions. While specific toxicity data is limited, it is advisable to avoid direct skin contact, inhalation, and ingestion. Always refer to safety data sheets (SDS) for detailed handling and exposure guidelines.

How should Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2) be stored?

Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2) should be stored in a sealed, airtight container in a cool, dry place away from direct light. Maintain storage conditions between 2-8°C to ensure stability, and avoid exposure to moisture or humidity to prevent degradation.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

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Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate | CAS No. 30123-17-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Boiling Point

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What is Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2)?

What are the main uses of Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2)?

Is Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2) safe?

How should Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate (CAS: 30123-17-2) be stored?

Related Compounds

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