7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid

Basic Information

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CAS Number

66981-73-5

Molecular Formula

C21H25ClN2O4S

Molecular Weight

436.96 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

129-131°C

Boiling Point

609.2 oC at 760 mmHg

Density

1.38

Flash Point

322.2 oC

Refractive Index

1.639

SMILES

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CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O

InChI

InChI=1S/C21H25ClN2O4S/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)

InChIKey

JICJBGPOMZQUBB-UHFFFAOYSA-N

LogP

4.192600000000002

Topological Polar Surface Area

86.71000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

654

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

(3-chloro-6-methyl-5,5-dioxo-6,11-dihydrodibenzo(c,f)(1,2)thiazepin-11-yl)-7-aminoheptanoic acid
7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid
Tianeptine
UNII-0T493YFU8O
Q-100759
Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, (+)-
Tianeptine, (+)-
Tianeptine, (-)-
Tianeptina [INN-Spanish]
JNJ-39823277
UNII-XV6773012I
TIANEPTINE [WHO-DD]
S-16190
SCHEMBL49293
ZB1716
Tianeptine (INN)
TPI-1062
Tianeptine Acid
Tianeptineacid
KS-5099
HMS3886A13
66981-73-5
CHEMBL1289110
S-16191
NS00008095
EINECS 276-851-9
7-{[(11S)-3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl]amino}heptanoic acid
(1)-7-((3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide
DB09289
7-((3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoic acid
GTPL7558

MDL Number

MFCD00865376

FAQ

What is 7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid (CAS: 66981-73-5)?

7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid is a complex organic compound with a molecular structure that includes a heptane backbone and a thiazepine ring. It is used in pharmaceutical research for its biological activities.

What are the main uses of 7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid (CAS: 66981-73-5)?

This compound is primarily used in pharmaceutical research due to its potential bioactive properties. It may also be used in the development of new drug candidates for various conditions.

Is 7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid (CAS: 66981-73-5) safe?

While the compound has not been widely used in applications outside of research, it may pose potential health risks if not handled properly. It is important to follow safety guidelines and use appropriate protective equipment. Toxicity and handling precautions should be followed as per regulatory standards.

How should 7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid (CAS: 66981-73-5) be stored?

Store this compound in a cool, dry place away from direct sunlight. Keep the container tightly sealed to maintain its stability. The optimal storage temperature is below 25°C. Avoid exposure to moisture and extreme temperatures to ensure its integrity. Handle with care to prevent spills or contamination.