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기본 정보
- CAS
100643-71-8- 표준 SMILES
Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1- InChIKey
JAUOIFJMECXRGI-UHFFFAOYSA-N- 분자식
- C19H19ClN2
- 평균 분자량
- 310.8 g/mol
- 단동위원소 질량
- 310.12367629
개요
Desloratadine is loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. It has a role as a H1-receptor antagonist, a cholinergic antagonist, a drug metabolite and an anti-allergic agent.
이름 및 식별자
- 우선 이름
- Desloratadine
- IUPAC
- 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
- 현지명
- 데스로라타딘
- 영어명
- Desloratadine
- 분자식
- C19H19ClN2
- 분자량
- 310.82
이름 및 동의어
Desloratadine100643-71-8ClarinexAeriusDescarboethoxyloratadineDesloratidineNeoclaritynAzomyrSch-34117DenosinOpulisAllex
이름 더 보기
데스로라타딘Desloratadine Citrate DisodiumLoratadine Related CoMpound AdesloratadinLoratadine Related Compound A (15 mg) (8-chloro-6,11-dihydro-11(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b] pyridine)DesL
Sch 341178-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridineDesloratadine ActavisDasselta8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridineDesloratadine tevaDesloratadina5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-
데이터베이스 식별자
- CAS
100643-71-8- PubChem CID
- 124087
- DTXSID
DTXSID1044196- ChEMBL
CHEMBL1172- ChEBI
CHEBI:291342
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 24.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 425
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
LogP3.2
Solubility
3.95e-03 g/L
21.6 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihistamines; Antipruritics; Nonsedating Antihistamines
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
Physical DescriptionSolid
Collision Cross Section175.5 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
물리화학적 성질
- 녹는점
- 150 · 150-151°C
- 끓는 점
- 467.9 · 467.9±45.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 140 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (90%)
독성 정보
Toxicity Summary
Like other H1-blockers, Desloratadine competes with free histamine for binding at H<sub>1</sub>-receptors in the GI tract, uterus, large blood vessels, and bronchial smooth muscle. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms (eg. nasal congestion, watery eyes) brought on by histamine.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Desloratadine
vLess-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
화학 및 산업
약리 정보
ATC Code
R06AX27
R - Respiratory system
QR - Respiratory system
Protein BindingDesloratadine is bound approximately 82 to 87% to plasma proteins, while its active metabolite, 3-hydroxydesloratadine, is bound approximately 85 to 89%.
Pharmacodynamics
Desloratadine is a long-acting second-generation H<sub>1</sub>-receptor antagonist which has a selective and peripheral H1-antagonist action. Histamine is a chemical that causes many of the signs that are part of allergic reactions, such as the swelling of tissues. Histamine is released from histamine-storing cells (mast cells) and attaches to other cells that have receptors for histamine. The attachment of the histamine to the receptors causes the cell to be "activated," releasing other chemicals which produce the effects that we associate with allergies. Desloratadine blocks one type of receptor for histamine (the H1 receptor) and thus prevents activation of cells by histamine. Unlike most other antihistamines, Desloratadine does not enter the brain from the blood and, therefore, does not cause drowsiness.
Mechanism of Action
Like other H1-blockers, Desloratadine competes with free histamine for binding at H<sub>1</sub>-receptors in the GI tract, uterus, large blood vessels, and bronchial smooth muscle. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms (eg. nasal congestion, watery eyes) brought on by histamine.
Biological Half-LifeDesloratadine has a mean plasma elimination half-life of approximately 27 hours.
Metabolism/Metabolites
Desloratadine is metabolized to the active metabolite 3-hydroxydesloratadine, which is subsequently glucuronidated.
Desloratadine is a known human metabolite of loratadine and Rupatadine.
Route of Elimination: Desloratadine (a major metabolite of loratadine) is extensively metabolized to 3-hydroxydesloratadine, an active metabolite, which is subsequently glucuronidated. Approximately 87% of a 14C-desloratadine dose was equally recovered in urine and feces. Half Life: 50 hours
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