Login

8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) | CAS No. 182349-12-8

8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1)

Basic Information

Chemical_Structure_Of
View in Editor

CAS Number

182349-12-8

Molecular Formula

C30H30ClN3O4

Molecular Weight

532.04 g/mol

AD

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

194-201 °C

SMILES

View in Editor

CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JYBLCDXVHQWMSU-WLHGVMLRSA-N

LogP

5.346720000000004

Topological Polar Surface Area

103.62000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

728

Safety Information

View Safety Information

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

  • SW219889-1
  • Rupatadine fumarate
  • SCHEMBL180512
  • Rupafin (TN)
  • 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-, (2E)-2-butenedioate (1:1)
  • Wystamm
  • CS-3482
  • XJ6OT32M93
  • 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 6,11-dihydro-8-chloro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-, (E)-2-butenedioate (1:1)
  • 182349-12-8 (fumarate)
  • Rupatall
  • SMR004701267
  • UR-12592 fumarate
  • RUPATADINE FUMARATE [WHO-DD]
  • HMS3885K05
  • Rinialer (TN)
  • s3052
  • 5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE, 8-CHLORO-6,11-DIHYDRO-11-(1-((5-METHYL-3-PYRIDINYL)METHYL)-4-PIPERIDINYLIDENE)-, (2E)-2-BUTENEDIOATE (1:1)
  • RUPATADINE FUMARATE [JAN]
  • KS-1229
  • JYBLCDXVHQWMSU-WLHGVMLRSA-N
  • AC-9016
  • Rupatadin Fumarate
  • MFCD00926499
  • Q-201688
  • 1217234-48-4
  • 182349-12-8
  • BR164385
  • Rupatadine fumarate (JAN)
  • RUPATADINE FUMARATE [MI]
  • CCG-269922

MDL Number

MFCD00926499

FAQ

What is 8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) (CAS: 182349-12-8)?
8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1), with CAS number 182349-12-8, is a complex organic compound containing a pyridine ring and a piperidine ring. It is a conjugated diacid salt and exhibits structural features that make it relevant in pharmaceutical and chemical research. The compound is typically used in synthetic applications and has a molecular weight of approximately 524.5 g/mol, with a solubility that varies depending on its formulation.

What are the main uses of 8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) (CAS: 182349-12-8)?
This compound is primarily used in pharmaceutical research for the development of new drugs, particularly in the context of medicinal chemistry and drug design. It also finds applications in organic synthesis as a building block for more complex molecules. Due to its unique structure, it may be relevant in the creation of compounds with potential therapeutic applications, including antipsychotic or antihistaminic agents.

Is 8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) (CAS: 182349-12-8) safe?
The safety of this compound depends on its specific application and exposure conditions. It is generally considered safe when handled in controlled laboratory environments following standard chemical safety protocols. However, as with many organic compounds, it is advisable to take appropriate precautions, such as using personal protective equipment (PPE), to minimize potential health risks. Safety data sheets (SDS) should be consulted for detailed information.

How should 8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) (CAS: 182349-12-8) be stored?
This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in a sealed container at a temperature below 25°C to maintain stability. Proper storage conditions are essential to prevent degradation, and it is recommended to store it in a well-ventilated area to avoid any potential exposure risks.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

Supplier Information

FuXinBoDaWeiYiYao Technology Co Ltd

CAS Number: 182349-12-8

View Details

Wuhan Chifei Chemical Raw Materials Co., Ltd.

CAS Number: 182349-12-8

View Details

Hubei Shixing Chemical Co., Ltd.

CAS Number: 182349-12-8

View Details

LaiBo （ ShangHai ） ShengHua Technology Co Ltd

CAS Number: 182349-12-8

View Details

JiNaWeiDou Chemical Co Ltd

CAS Number: 182349-12-8

View Details

HuBeiXinYuanShunYiYaoHuaGongYouXianGongSiXiaoShouGongSi

CAS Number: 182349-12-8

View Details

Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.

CAS Number: 182349-12-8

View Details
8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) — ShenZhenZhenJiangShengWuJiShu Co Ltd

ShenZhenZhenJiangShengWuJiShu Co Ltd

CAS Number: 182349-12-8

View Details
8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) — HuBeiYongKuo Technology Co Ltd

HuBeiYongKuo Technology Co Ltd

CAS Number: 182349-12-8

View Details

Shanghai Kewei Chemical Technology Co., Ltd.

CAS Number: 182349-12-8

View Details
8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) — ShangHaiJiZhiShengHua Technology Co Ltd

ShangHaiJiZhiShengHua Technology Co Ltd

CAS Number: 182349-12-8

View Details

Shenzhen Xing Kaiyue Biotechnology Co., Ltd.

CAS Number: 182349-12-8

View Details

HuaFengLianBo Technology Co Ltd

CAS Number: 182349-12-8

View Details

ShangHaiYiJi Industrial Co Ltd

CAS Number: 182349-12-8

View Details
8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

CAS Number: 182349-12-8

View Details

This website uses cookies to ensure basic functionality and enhance your experience. We use:

  • Essential cookies: Required for core site features (authentication, security). These cannot be disabled.
  • Analytics cookies: Help us understand site usage to improve our service.

You can change your preferences at any time in our Privacy Settings. See our Privacy Policy for more details.