8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

Basic Information

View in Editor

CAS Number

100643-71-8

Molecular Formula

C19H19ClN2

Molecular Weight

310.83 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

155.0 to 159.0 deg-C

Boiling Point

467.9°C at 760 mmHg

Density

1.221

Flash Point

236.8 oC

Solubility

DMSO: >10mg/mL

Refractive Index

1.625

SMILES

View in Editor

C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4

InChI

InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2

InChIKey

JAUOIFJMECXRGI-UHFFFAOYSA-N

LogP

4.018900000000003

Topological Polar Surface Area

24.92 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

425

Safety Information

View Safety Information

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

4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene) piperidine
SW197792-3
Desloratadine for system suitability
HY-B0539
BDBM50073179
DTXSID1044196
8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
NCGC00159325-02
5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-
Sch34117
AB00456701-11
Denosin
8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (Descarboethoxyloratadine; Desloratadine)
8-chloro-6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
HMS2093F19
Desalex
BCP02340
Sch-34117
HMS2052H05
NSC-675447
MLS000759406
DESLORATADINE [USP-RS]
DESLORATADINE [USP MONOGRAPH]
Desloratadine [USAN]
R06AX27
13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
NCGC00159325-04
MFCD00871949
NS00008826
RUPATADINE FUMARATE IMPURITY B [EP IMPURITY]

MDL Number

MFCD00871949

FAQ

What is 8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CAS: 100643-71-8)?

8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CAS: 100643-71-8) is a complex organic compound belonging to the class of cycloheptapyridine derivatives. It contains a benzene ring fused with a cycloheptane ring and features a pyridine ring with substituents including a chlorine atom and a piperidinylidene group. This compound is known for its potential applications in medicinal chemistry and is often studied for its pharmacological properties.

What are the main uses of 8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CAS: 100643-71-8)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development, particularly in the treatment of neurological disorders. It may also find applications in organic synthesis and as an intermediate in the production of other chemical compounds. Its unique structure makes it relevant for exploring new therapeutic targets and mechanisms.

Is 8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CAS: 100643-71-8) safe?

The safety of 8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CAS: 100643-71-8) depends on its handling and exposure conditions. While it is generally considered safe in controlled laboratory environments, it should be handled with care due to potential irritant properties. Appropriate protective measures, such as gloves and ventilation, are recommended when working with this compound to ensure safety standards are met.

How should 8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CAS: 100643-71-8) be stored?

8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CAS: 100643-71-8) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container, away from moisture and air, to prevent degradation. Proper storage conditions are crucial to ensure its chemical integrity and safety during handling.