기본 정보
- CAS
6004-98-4- 표준 SMILES
C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1- InChIKey
ZRYHPQCHHOKSMD-UHFFFAOYSA-N- 분자식
- C20H33N2O+
- 평균 분자량
- 317.5 g/mol
- 단동위원소 질량
- 317.25928868
개요
Hexocyclium is an amine.
이름 및 식별자
- 우선 이름
- Hexocyclium
- IUPAC
- 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol
- 현지명
- 헥소사이클륨
- 영어명
- Hexocyclium
- 분자식
- C20H33N2O+
- 분자량
- 317.5
이름 및 동의어
HEXOCYCLIUM6004-98-4Hexocyclium ionHexocyclium cationhexociclium1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanolLL3147PI1TDTXSID808592104-(2-Cyclohexyl-2-hydroxy-2-phenethyl)-1,1-dimethylpiperazinium1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanolRefChem:146313DTXCID20196712
이름 더 보기
헥소사이클륨4-(2-Cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-iumPiperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl- (9ci)Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethyl-, sulfate
CHEMBL1201325HexocyclumAC1L2NA2UNII-LL3147PI1TSureCN934371GTPL323HEXOCYCLIUM [WHO-DD]SCHEMBL934371
데이터베이스 식별자
- CAS
6004-98-4- PubChem CID
- 24199
- DTXSID
DTXSID80859210- ChEMBL
CHEMBL1201325
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 1
- 복잡도
- 362
실험 및 물리화학적 성질
Human DrugsPharmaceuticals
Melting Point203-204
물리화학적 성질
- 녹는점
- 205 °C · 205°C
- 밀도
- 1.1209 · 1.1209 (rough estimate)
- 굴절률
- 1.651 · 1.6510 (estimate)
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
PharmacodynamicsHexocyclium reduces gastrointesitinal motility and gastric acid secretion.
Mechanism of Action
Hexocyclium binds to and inhibits muscarinic acetylcholine receptors. This decreases gastric acid secretion by preventing the activation of M3 receptors on pareital cells and subsequent stimulation of gastric acid secretion. The antagonism of M3 receptors in the intestine inhibits smooth muscle contraction resulting in a decrease in motility. The binding of hexocyclium to other muscarinic receptor types produces typical anti-muscarinic side effects.
용도 및 제조
Use ClassificationPharmaceuticals
공급사2 곳
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
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