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Cetirizine Hydrochloride

HCID 55182
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
83881-52-1
표준 SMILES
Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey
PGLIUCLTXOYQMV-UHFFFAOYSA-N
분자식
C21H27Cl3N2O3
평균 분자량
461.8 g/mol
단동위원소 질량
460.108726

개요

Cetirizine hydrochloride is a diarylmethane.

이름 및 식별자

우선 이름
Cetirizine Hydrochloride
IUPAC
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
영어명
Cetirizine dihydrochloride
분자식
C21H26Cl2N2O3
분자량
425.35

이름 및 동의어

Cetirizine dihydrochloride83881-52-1CETIRIZINE HYDROCHLORIDE2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochlorideCetrineCetirizine HClFormistinAlleroffZerviateAllergy reliefZyrtec AllergyZyrtec Hives Relief
이름 더 보기
TrizCETIRIZINE 2HCLCETIRIZINE DI HCLZYRTECCertirizineCetirizine HydrochorideCETIRIZIN DIHYDROCHLORIDE
P 071P-071Topcare all day allergyChildren's Zyrtec AllergyCetirizine Hydrochloride HivesQUZYTTIR64O047KTOAChildren's Zyrtec Hives Relief

데이터베이스 식별자

CAS
83881-52-1
PubChem CID
55182
DTXSID
DTXSID2044268
ChEMBL
CHEMBL1607273
ChEBI
CHEBI:3562
UNII
64O047KTOA
EC Number
620-533-8

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 · 3건

Breast Feeding; Lactation; Milk, Human; Antihistamines

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Collision Cross Section198.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
110 · 110-115°C
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 용해성5mg/mL, 투명
물리적 상태
가루
색상
흰색에서 베이지색
수용성
물, DMSO, 에탄올 및 메탄올에 용해됩니다.
Merck
14 · 14,2022
BCS Class
1 · 1,3
안정성
흡습성
InChI
InChI=1S/C21H25ClN2O3.ClH/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);1H
InChIKey
PGLIUCLTXOYQMV-UHFFFAOYSA-N
SMILES
O=C(COCCN1CCN(C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1)O.[H]Cl
EPA
2 · Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride (1:2) (83881-52-1)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 161 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (99.4%)

독성 정보

TreatmentShould overdose occur, treatment should be symptomatic or supportive, taking into account any concomitantly ingested medications. There is no known specific antidote to Cetirizine. (L1712)
Health Effects · 1건

Overdosage has been reported with ZYRTEC (cetirizine) . In one adult patient who took 150 mg of ZYRTEC (cetirizine) , the patient was somnolent but did not display any other clinical signs or abnormal blood chemistry or hematology results. In an 18 month old pediatric patient who took an overdose of ZYRTEC (cetirizine) (approximately 180 mg), restlessness and irritability were observed initially; this was followed by drowsiness. (L1712)

Exposure RoutesOral; mean peak plasma concentration (Cmax) of 114 ng/mL at a time (Tmax) of 2.2 hours postdose was observed for cetirizine.
Toxicity Summary · 1건

Cetirizine competes with histamine for binding at H<sub>1</sub>-receptor sites on the effector cell surface, resulting in suppression of histaminic edema, flare, and pruritus. The low incidence of sedation can be attributed to reduced penetration of cetirizine into the CNS as a result of the less lipophilic carboxyl group on the ethylamine side chain.

화학 및 산업

약리 정보

Metabolism/MetabolitesHalf Life: 8.3 hours
FDA Pharmacological Classification · 6건

ALLERGY RELIEF

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]; Allergens [CS]; Cell-mediated Immunity [PE]; Increased Histamine Release [PE]

CETIRIZINE HCL

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

CETIRIZINE HCL 10 MG

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

MeSH Pharmacological Classification · 2건

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

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.

용도 및 제조

UsesFor the relief of symptoms associated with seasonal allergic rhinitis, perennial allergic rhinitis and the treatment of the uncomplicated skin manifestations of chronic idiopathic urticaria
응용 분야 · 3건

개요Cetirizine hydrochloride is a once-daily, non-sedating antihistamine useful in the treatment of allergic rhinitis, urticaria and conjunctivitis. It is reported to be more effective than most other agents in this category such as terfenadine and astemizole.

관련 반응

13건
반응 기록 만들기
HRID 390033 반응식
HRID 390033반응물로uspto-grants-2013_02
HRID 390034 반응식
HRID 390034반응물로uspto-grants-2013_02
HRID 390035 반응식
HRID 390035반응물로uspto-grants-2013_02
HRID 1072259 반응식
HRID 1072259생성물로uspto-grants-2005_06
HRID 1072260 반응식
HRID 1072260생성물로uspto-grants-2005_06
HRID 1072261 반응식
HRID 1072261생성물로uspto-grants-2005_06
HRID 1072262 반응식
HRID 1072262생성물로uspto-grants-2005_06
HRID 1072263 반응식
HRID 1072263생성물로uspto-grants-2005_06
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화합물 노트

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화학적 성질 · 1건

Cetirizine Hydrochloride occurs as a white crystalline powder or crystalline solid. It is very soluble in water, and slightly soluble in ethanol (99.5). It dissolves in 0.1 mol/L hydrochloric acid TS. A solution of Cetirizine Hydrochloride (1 in 10) shows no optical rotation.

Signs and SymptomsSomnolence (sleepiness or unusual drowsiness), restlessness, irritability.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Cetirizine hydrochloride

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
3
rtecs
AG0977500
ridadr
3249
HS 번호
2933599090
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36
포장분류
III
위험 등급
6.1(b)
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

용도Cetirizine hydrochloride is a nonsedating type histamine H1-receptor antagonist. A major metabolite of Hydroxyzine. Pharmacological activity resides primarily in the (R)-isomer. It is Cetirizine is an antihistamine medicine that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.

일반 설명Cetirizine hydrochloride, a second generation antihistaminic drug, is one of the carboxylated metabolites of hydroxyzine that can typically bind to histamine H1 receptor. It is effective against diseases such as urticaria, angioedema, allergies and hay fever.

상·하류 제품 정보

상류 원료

4-[(4-Chlorophenyl)phenylmethyl]-1-piperazineethanol dihydrochloride포타슘터셔리부톡사이드CetirizineAcetaldehyde, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-소듐 클로로아세테이트아세톤염산물

하류 제품

1-PiperazineacetaldehydeCetirizine