기본 정보
- CAS
17299-00-2- 표준 SMILES
CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1- InChIKey
AHZBEVXBKNYXPU-UHFFFAOYSA-N- 분자식
- C22H32N4O4+2
- 평균 분자량
- 416.5 g/mol
- 단동위원소 질량
- 416.24235551
개요
Distigmine is a carbamate ester resulting from the formal condensation of both carboxy groups of hexane-1,6-diylbis(methylcarbamic acid) with the hydroxy group of 3-hydroxy-1-methylpyridinium. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor and a muscarinic agonist. It is a carbamate ester and a pyridinium ion.
이름 및 식별자
- 우선 이름
- Distigmine
- IUPAC
- (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate
이름 및 동의어
DistigmineDistigmine ionDistigmine cation17299-00-2HexamariumT940307O7BPyridinium, 3,3'-(1,6-hexanediylbis((methylimino)carbonyloxy))bis(1-methyl-CHEBI:80756DTXSID00169484Pyridinium, 3,3'-[1,6-hexanediylbis[(methylimino)carbonyloxy]]bis[1-methyl-RefChem:135137DTXCID1091975
이름 더 보기
1-methyl-3-((methyl((6-(methyl((((1-methylpyridin-1-ium-3-yl)oxy)carbonyl))amino)hexyl))carbamoyl)oxy)pyridin-1-iumDistigmine [WHO-DD]UNII-T940307O7B(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridin-1-ium)Distigmine - API StandardsCHEMBL1199307SCHEMBL16674116
데이터베이스 식별자
- CAS
17299-00-2- PubChem CID
- 3116
- DTXSID
DTXSID00169484- ChEMBL
CHEMBL1199307- ChEBI
CHEBI:80756- UNII
- T940307O7B
- Nikkaji
- J221.234J
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 30
- 형식 전하
- 2
- 복잡도
- 487
실험 및 물리화학적 성질
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >10
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