기본 정보
- CAS
115092-85-8- 표준 SMILES
Cl.O=C(O)c1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1- InChIKey
LRJUHOBITQUXIO-UHFFFAOYSA-N- 분자식
- C24H27ClN2O2
- 평균 분자량
- 410.9 g/mol
- 단동위원소 질량
- 410.1761058
개요
Carmoxirole hydrochloride is a hydrochloride salt obtained by reaction of carmoxirole with one equivalent of hydrochloric acid. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. It has a role as an antihypertensive agent, a platelet aggregation inhibitor and a dopamine agonist. It contains a carmoxirole(1+).
이름 및 식별자
- 우선 이름
- Carmoxirole hydrochloride
- IUPAC
- 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid;hydrochloride
- 영어명
- 1H-Indole-5-carboxylic acid, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, hydrochloride (1:1)
- 분자식
- C24H26N2O2.ClH
- 분자량
- 410.94
이름 및 동의어
carmoxirole hydrochloride115092-85-8UNII-77K7K97CBSEMD-4560977K7K97CBS1H-Indole-5-carboxylic acid, 3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-, hydrochloride (1:1)DTXSID4042595CHEBI:64199CARMOXIROLE HYDROCHLORIDE [MI]1H-Indole-5-carboxylic acid, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, hydrochloride (1:1)1-[4-(5-carboxy-1H-indol-3-yl)butyl]-4-phenyl-1,2,3,6-tetrahydropyridinium chloride3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indole-5-carboxylic acid hydrochloride
이름 더 보기
Carmoxirole HClEMD 45609 hydrochlorideCarmoxirole hydrochloride, 10 mM in DMSOinhibit,Carmoxirole,Dopamine Receptor,Carmoxirole hydrochloride,Inhibitor,EMD-45609,EMD 45609,EMD45609
1-(4-(5-carboxy-1H-indol-3-yl)butyl)-4-phenyl-1,2,3,6-tetrahydropyridinium chloride3-(4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl)-1H-indole-5-carboxylic acid hydrochlorideRefChem:123750DTXCID2022595NOCAS_42595Carmoxirole (hydrochloride)3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid;hydrochlorideNCGC00092328-01
물성
구조 계산 물성
- 극성 표면적
- 56.3 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 555
물리화학적 성질
- 녹는점
- 298 · 298-299°
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mM · Soluble to 100 mM in DMSO
- 물리적 상태
- 가루
- 색상
- Yellow to brown
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