기본 정보
- CAS
108050-82-4- 표준 SMILES
Cl.Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1- InChIKey
ZCEPVNSWLLJECX-UHFFFAOYSA-N- 분자식
- C23H27ClN2O
- 평균 분자량
- 382.9 g/mol
- 단동위원소 질량
- 382.1811912
이름 및 식별자
- 우선 이름
- Roxindole Hydrochloride
- IUPAC
- 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol;hydrochloride
- 영어명
- 1H-Indol-5-ol,3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, hydrochloride (1:1)
- 분자식
- C23H27ClN2O
- 분자량
- 382.92628
이름 및 동의어
roxindole hydrochloride108050-82-4EMD-38362NS63HO5457DTXSID10426051H-Indol-5-ol, 3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-, hydrochloride (1:1)1H-Indol-5-ol, 3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-, monohydrochlorideRefChem:179991DTXCID9022605Roxindole (hydrochloride)Roxindole hydrochloride [MI]3-(4-(4-Phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)-1H-indol-5-ol hydrochloride
이름 더 보기
1H-Indol-5-ol,3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, hydrochloride (1:1)
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol;hydrochlorideEmd 499803-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl]-1H-indol-5-ol hydrochlorideUNII-NS63HO54573-[4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-1H-indol-5-ol Hydrochloride;3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-1H-Indol-5-ol Monohydrochloride; Roxindole Hydrochloride;3-[4-(3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDINYL)BUTYL]-1H-INDOL-5-OL HYDROCHLORIDEorb1704147SCHEMBL5453647
데이터베이스 식별자
- CAS
108050-82-4- PubChem CID
- 9886286
- DTXSID
DTXSID1042605- UNII
- NS63HO5457
물성
구조 계산 물성
- 극성 표면적
- 39.3 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 471
물리화학적 성질
- 녹는점
- 274 ° · 274°
- 저장 조건
- -20 °C · Desiccate at -20°C
- 용해도
- 50 mM · Soluble to 50 mM in DMSO with gentle warming
- 물리적 상태
- 가루
- 색상
- White to off-white
- 안정성
- 흡습성
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
Drugs that bind to and activate dopamine receptors.
응용 분야
용도Roxindole Hydrochloride is a selective and potent presynaptic D-2 dopamine autoreceptor agonist.
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