기본 정보
- CAS
83898-65-1- 표준 SMILES
O=C(O)/C=C\C(=O)O.O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1- InChIKey
OAUUYDZHCOULIO-BTJKTKAUSA-N- 분자식
- C26H28ClN5O6
- 평균 분자량
- 542 g/mol
- 단동위원소 질량
- 541.1728113
개요
See also: Domperidone (has active moiety) ... View More ...
이름 및 식별자
- 우선 이름
- Domperidone Maleate
- IUPAC
- (Z)-but-2-enedioic acid;6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
- 영어명
- 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one maleate
- 분자식
- C26H28ClN5O6
- 분자량
- 541.99
이름 및 동의어
Domperidone Maleate83898-65-1899U5WF46ADTXSID901019221CHEBI:59812RefChem:135606DTXCID401477210281-277-799497-03-7UNII-899U5WF46ADomperidone (monomaleate)EINECS 281-277-7
이름 더 보기
Z-Domperidone MaleateDomperidone maleate CRSDomperidone monomaleateDomperidone Maleate (1:1)pyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one maleate5-CHLORO-1-[1-[2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOL-1-YL)PROPYL]-4-PIPERIDINE]-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE
MFCD07370074C26H28ClN5O6(Z)-but-2-enedioic acid;6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one maleate5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2h-benzimidazol-2-one maleatePrestwick-06G025-Chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one maleateE-Domperidone Maleate
데이터베이스 식별자
- CAS
83898-65-1、99497-03-7- PubChem CID
- 6604595
- DTXSID
DTXSID901019221- ChEMBL
CHEMBL3436365- UNII
- 899U5WF46A
- EC Number
- 281-277-7
물성
구조 계산 물성
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 774
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- Solid
- 색상
- White to off-white
- 주요 응용
- 제약소분자 약용
- InChIKey
- OAUUYDZHCOULIO-BTJKTKAUSA-N
- SMILES
- C(/C(=O)O)=C/C(=O)O.O=C1NC2C=C(Cl)C=CC=2N1C1CCN(CCCN2C(NC3C=CC=CC2=3)=O)CC1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Other Safety InformationIMAP assessments - 2H-Benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-, (Z)-2-butenedioate (1:1): Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Repr. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.
공급사22 곳
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