Agomelatine Dimer Urea

Basic Information

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CAS Number

185421-27-6

Molecular Formula

C27H28N2O3

Molecular Weight

428.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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COC1=CC2=C(C=CC=C2CCNC(=O)NCCC3=CC=CC4=C3C=C(C=C4)OC)C=C1

InChI

InChI=1S/C27H28N2O3/c1-31-23-11-9-19-5-3-7-21(25(19)17-23)13-15-28-27(30)29-16-14-22-8-4-6-20-10-12-24(32-2)18-26(20)22/h3-12,17-18H,13-16H2,1-2H3,(H2,28,29,30)

InChIKey

XXLOKCBHVVICPZ-UHFFFAOYSA-N

LogP

5.094600000000004

Topological Polar Surface Area

59.59 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

537

Synonyms & References

English

Agomelatine Dimer Urea
Agomelatine Impurity 1
1,3-bis(2-(7-methoxynaphthalen-1-yl)ethyl)urea
1,3-Bis[2-(7-methoxynaphthalen-1-yl)ethyl]urea
Agomelatine Impurity II
N,N'-Bis[2-(7-methoxy-1-naphthalenyl)ethyl]urea;
185421-27-6

MDL Number

MFCD27996050

FAQ

What is Agomelatine Dimer Urea (CAS: 185421-27-6)?

Agomelatine Dimer Urea (CAS: 185421-27-6) is a chemical compound that is the dimeric form of agomelatine, a melatonergic and 5-HT2C receptor antagonist used in the treatment of depression and bipolar disorder. It is an important intermediate in the synthesis of agomelatine.

What are the main uses of Agomelatine Dimer Urea (CAS: 185421-27-6)?

Agomelatine Dimer Urea (CAS: 185421-27-6) is primarily used as an intermediate in the pharmaceutical industry for the synthesis of agomelatine, a drug used to treat depression and bipolar disorder. It is also used in research for studying the pharmacology of melatonergic and 5-HT2C receptor interactions.

Is Agomelatine Dimer Urea (CAS: 185421-27-6) safe?

Agomelatine Dimer Urea (CAS: 185421-27-6) is generally considered safe for use in the synthesis of agomelatine, but users should follow safety guidelines. It should be handled with care to avoid skin contact and inhalation. Protective equipment such as gloves and goggles should be worn during handling.

How should Agomelatine Dimer Urea (CAS: 185421-27-6) be stored?

Agomelatine Dimer Urea (CAS: 185421-27-6) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. Storage should be in a secure location, out of reach of children and pets.