Related Searches: Desloratadine

Desloratadine(CAS No. 100643-71-8)

Desloratadine C19H19ClN2 (cas 100643-71-8) Molecular Structure

100643-71-8 Structure

Identification and Related Records

【Name】
Desloratadine
【Iupac name】
8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,
4-b]pyridine
【CAS Registry number】
100643-71-8
【Synonyms】
Neoclarityn
Opulis
Sch 34117
5H-Benzo[5,6]cyclohepta[1,2-b]pyridine,8-chloro-6,11-dihydro-11-(4-piperidinylidene)-
8-Chloro-11-(4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Aerius
Allex
Azomyr
Clarinex
Descarboethoxyloratadine
NSC675447
8-Chloro-6,11-dihydro-11-(4-piperdinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
【Molecular Formula】
C19H19ClN2 (Products with the same molecular formula)
【Molecular Weight】
310.82056
【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
【Canonical SMILES】
C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4

Chemical and Physical Properties

【Appearance】
Beige Solid
【Density】
1.221 g/cm3
【Melting Point】
150-151oC
【Boiling Point】
467.9 oC at 760 mmHg
【Vapour】
6.25E-09mmHg at 25°C
【Refractive Index】
1.625
【Flash Point】
236.8 oC
【Water】
Freely soluble in methanol.
【Solubilities】
Freely soluble in methanol.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:310.82056 [g/mol]
Molecular Formula:C19H19ClN2
XLogP3:4.5
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:310.123676
MonoIsotopic Mass:310.123676
Topological Polar Surface Area:24.9
Heavy Atom Count:22
Formal Charge:0
Complexity:425
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:1.4
Conformer Sampling RMSD:0.6
CID Conformer Count:4

Safety and Handling

【Specification】

? Desloratadine (CAS NO.100643-71-8), its Synonyms are 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine ; Aerius ; Azomyr ; Clarinex ; Denosin ; Neoclarityn ; 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)- .

Use and Manufacturing

【Usage】

A histamine H1-receptor antagonist. An active metabolite of Loratadine

Biomedical Effects and Toxicity

【Pharmacological Action】
- Drugs that bind to but do not activate CHOLINERGIC RECEPTORS, thereby blocking the actions of ACETYLCHOLINE or cholinergic agonists.
- A class of non-sedating drugs that bind to but do not activate histamine receptors (DRUG INVERSE AGONISM), thereby blocking the actions of histamine or histamine agonists. These antihistamines represent a heterogenous group of compounds with differing chemical structures, adverse effects, distribution, and metabolism. Compared to the early (first generation) antihistamines, these non-sedating antihistamines have greater receptor specificity, lower penetration of BLOOD-BRAIN BARRIER, and are less likely to cause drowsiness or psychomotor impairment.

Supplier Location

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