기본 정보
- 표준 SMILES
CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1- InChIKey
MOYGZHXDRJNJEP-UHFFFAOYSA-N- 분자식
- C28H33ClN2
- 평균 분자량
- 433 g/mol
- 단동위원소 질량
- 432.23322674
개요
Buclizine is an N-alkylpiperazine carrying (4-chlorophenyl)(phenyl)methyl and 4-tert-butylbenzyl groups. It has a role as a central nervous system depressant, a local anaesthetic, a histamine antagonist, a cholinergic antagonist and an antiemetic. It is a N-alkylpiperazine and a member of monochlorobenzenes. It is a conjugate base of a buclizine(2+).
이름 및 식별자
- 우선 이름
- Buclizine
- IUPAC
- 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine
- 현지명
- 부클리진
- 영어명
- BUCLIZINE
- 분자식
- C28H33ClN2
- 분자량
- 433.03
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
163837-51-2、163837-52-3、82-95-1- PubChem CID
- 6729
- DTXSID
DTXSID0022694- ChEMBL
CHEMBL1201271- ChEBI
CHEBI:3205- UNII
- 0C94V6X681、1178B2VD9B、UFN4445AF2
- EC Number
- 201-448-1
- Nikkaji
- J4.623J
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 6.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 514
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 0.001 · bp0.001 217-220°
- 밀도
- 0.997 · 0.9970 (rough estimate)
- 굴절률
- 1.594 · 1.5940 (estimate)
- 산도 계수 (pKa)
- 6.84 · 6.84±0.10(Predicted)
안전 및 규제
유해성 정보
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
Pharmacodynamics
Buclizine is a piperazine-derivative antihistamine used as an antivertigo/antiemetic agent. Buclizine is used in the prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness. Additionally, it has been used in the management of vertigo in diseases affecting the vestibular apparatus. Although the mechanism by which buclizine exerts its antiemetic and antivertigo effects has not been fully elucidated, its central anticholinergic properties are partially responsible. The drug depresses labyrinth excitability and vestibular stimulation, and it may affect the medullary chemoreceptor trigger zone. It also possesses anticholinergic, antihistaminic, central nervous system depressant, and local anesthetic effects.
Mechanism of Action
Vomiting (emesis) is essentially a protective mechanism for removing irritant or otherwise harmful substances from the upper GI tract. Emesis or vomiting is controlled by the vomiting centre in the medulla region of the brain, an important part of which is the chemotrigger zone (CTZ). The vomiting centre possesses neurons which are rich in muscarinic cholinergic and histamine containing synapses. These types of neurons are especially involved in transmission from the vestibular apparatus to the vomiting centre. Motion sickness principally involves overstimulation of these pathways due to various sensory stimuli. Hence the action of buclizine which acts to block the histamine receptors in the vomiting centre and thus reduce activity along these pathways. Furthermore since buclizine possesses anti-cholinergic properties as well, the muscarinic receptors are similarly blocked.
용도 및 제조
응용 분야
용도Buclizine is an antinauseant.
상·하류 제품 정보
상류 원료
공급사42 곳
추가 설명
정의ChEBI: An N-alkylpiperazine carrying (4-chlorophenyl)(phenyl)methyl and 4-tert-butylbenzyl groups.
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