레보세티리진이염산염
Levocetirizine Dihydrochloride
기본 정보
- CAS
130018-87-0- 표준 SMILES
Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1- InChIKey
PGLIUCLTXOYQMV-GHVWMZMZSA-N- 분자식
- C21H27Cl3N2O3
- 평균 분자량
- 461.8 g/mol
- 단동위원소 질량
- 460.108726
개요
Levocetirizine Dihydrochloride is the dihydrochloride salt form of the active levorotatory enantiomer of cetirizine, levocetirizine; a third generation, non-sedating, selective histamine H1 receptor antagonist, with antihistamine, anti-inflammatory and potential anti-angiogenic activities. Levocetirizine competes with endogenous histamine for binding at peripheral H1-receptor sites on the effector cell surface. This prevents the negative symptoms associated with histamine release and an allergic reaction. In addition, as histamine plays an important role in angiogenesis during an allergic inflammatory reaction, blocking the action of histamine may modulate the expression of proangiogenic factors and thus may prevent angiogenesis. As a third-generation histamine H1 receptor antagonist, levocetirizine has fewer side effects than most second-generation antihistamines.
이름 및 식별자
- 우선 이름
- Levocetirizine Dihydrochloride
- IUPAC
- 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
- 현지명
- 레보세티리진이염산염
- 영어명
- Levocetirizine dihydrochloride
- 분자식
- C21H27Cl3N2O3
- 분자량
- 461.81
이름 및 동의어
Levocetirizine dihydrochloride130018-87-0XyzalSOD6A38AGAXyzal Allergy 24hrChildrens Xyzal Allergygood sense levocetirizinecetirizine (R)-form dihydrochlorideUCB-28556NSC-758898DTXSID30926567CETIRIZINE HYDROCHLORIDE (R)-
이름 더 보기
레보세티리진이염산염LEVOCETIRIZINE 2HCLLEVOCETIRIZINE HCLLEVOCETRIZINE DIHYDROCHLORIDE(R)-Cetirizine diHCl (Levocetirizine diHCl)[2-[4-[(r)-(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-acetic acid dihydrochlorideDDDBLevocetrizineHClLevocetirizine HCILevocitirizine 2HCLLEVOCETIRIZINE DIHCL
Acetic acid, (2-(4-((R)-(4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride(2-(4-((R)-(4-Chlorophenyl)phenylmethyl)piperazin-1-yl)ethoxy)acetic acid dihydrochlorideXyzall(2-{4-[(R)-(4-Chlorophenyl)phenylmethyl]piperazin-1-yl}ethoxy)acetic acid dihydrochlorideAllery Relief 24HRAllergy Relief 24HRRefChem:55474DTXCID201355381
물성
구조 계산 물성
- 극성 표면적
- 53 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 443
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 215 · 215-220°C
- 저장 조건
- room temp
- 용해도
- 2 O: · H2O: ≥23mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 거의 흰색
- 수용성
- 2 O: · H2O: ≥23mg/mL
- Merck
- 14 · 14,2022
- 안정성
- 흡습성
- InChI
- InChI=1/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/s3
- InChIKey
- PGLIUCLTXOYQMV-MGIYCFTINA-N
- SMILES
- C(O)(=O)COCCN1CCN([C@@H](C2=CC=C(Cl)C=C2)C2=CC=CC=C2)CC1.[H]Cl.[H]Cl |&1:11,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 111 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (98.2%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Levocetirizine dihydrochloride
vLess-DILI-concern
4
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- 3
- rtecs
- AG0990000
- ridadr
- UN 3077 9 / PGIII
- HS 번호
- 29335990
- risk_code
- 22-50/53
- hazard_code
- Xn,N
- safety_code
- 60-61
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
LEVOCETIRIZINE DIHYDROCHLORIDE
Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]
LEVOCETIRIZINE DIHYDROCHLORIDE 5 MG
Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]
ALLERY RELIEF 24HR
Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]
MeSH Pharmacological Classification
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.
응용 분야
용도Levocetirizine dihydrochloride has been used as standard in the thin layer chromatography optimization and in preparation of racemic cetirizine standard for subcritical fluid chromatography-tandem mass spectrometry analysis.
일반 설명Levocetirizine dihydrochloride,(R)-[2-[4-[(4-chlorophenyl) phenylmethyl]-1-piperazinyl] ethoxy] acetic acid dihydrochloride, (Xyzal) is awhite, crystalline powder and is water soluble. ThisR-enantiomer is has a 30-fold higher affinity than the S-enantiomer,and dissociates more slowly from H1-receptors.Pharmacologically, it displays the same receptor and CNSselecitivity profile as the racemate, cetirizine,and thus the same therapeutic advantages. Levocetirizine isindicated for the relief of symptoms associated with allergicrhinitis (seasonal and perennial) in adults and children 6 yearsof age and older and for the treatment of the uncomplicatedskin manifestations of chronic idiopathic urticaria in adultsand children 6 years of age and older. Its pharmacokineticsand clearance profile are essentially the same as the racemate,cetirizine .
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