N-(Cyclohexylcarbamoyl)-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide

Basic Information

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CAS Number

33342-05-1

Molecular Formula

C27H33N3O6S

Molecular Weight

527.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

177.0 to 188.3 deg-C

Boiling Point

°Cat760mmHg

Density

1.34

Refractive Index

1.624

SMILES

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CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C

InChI

InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)

InChIKey

LLJFMFZYVVLQKT-UHFFFAOYSA-N

LogP

3.518500000000002

Topological Polar Surface Area

121.88 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

948

Safety Information

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Hazard Statement

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

1-CYCLOHEXYL-3-(((P-(2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2(1H)-ISOQUINOLYL)ETHYL)PHENYL)SULFONYL)UREA
Glurenorm
A821736
ARDF 26
Z56785257
1-Cyclohexyl-3-((p-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)urea
1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea
SPBio_002972
AB00513989_07
D02430
HMS2098G03
Beglynor
1-cyclohexyl-3-{4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonyl}urea
1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea
33342-05-1
Tox21_110629_1
HY-B1114
BPBio1_001191
G0332
Benzenesulfonamide, N-((cyclohexylamino)carbonyl)-4-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl)-
DTXSID4023096
BCP11927
MFCD00631870
Glurenorm (TN)
Gliquidone [INN:BAN]
SMR000685793
NCGC00016819-06
3-Cyclohexyl-1-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-isoquinolin-2-yl)ethyl]phenyl]sulfonyl-urea
1-Cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea;Gliquidone
SR-01000833866-2
CHEMBL383634

MDL Number

MFCD00631870

Customs Code

29147000

FAQ

What is N-(Cyclohexylcarbamoyl)-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33342-05-1)?

N-(Cyclohexylcarbamoyl)-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33342-05-1) is a complex organic compound characterized by its sulfonamide and carbamoyl groups. It is known for its high molecular weight and exhibits solubility in polar solvents. This compound is commonly used in advanced chemical research due to its structural versatility and potential biological activity.

What are the main uses of N-(Cyclohexylcarbamoyl)-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33342-05-1)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development. It also finds applications in organic synthesis and as an intermediate in the production of various chemical compounds. Its unique structure makes it valuable in the study of enzyme inhibition and receptor interactions.

Is N-(Cyclohexylcarbamoyl)-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33342-05-1) safe?

N-(Cyclohexylcarbamoyl)-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33342-05-1) is generally considered safe when handled properly. However, it should be used with caution, and protective equipment such as gloves and goggles is recommended. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines.

How should N-(Cyclohexylcarbamoyl)-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33342-05-1) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is best kept in a sealed container at a temperature below 25°C. Proper storage conditions help maintain its chemical stability and prevent degradation over time.