기본 정보
- CAS
1054-88-2- 표준 SMILES
O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccccc3O1)CC2- InChIKey
JVGBTTIJPBFLTE-UHFFFAOYSA-N- 분자식
- C22H25N3O3
- 평균 분자량
- 379.5 g/mol
- 단동위원소 질량
- 379.18959167
개요
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is a member of imidazolidines.
이름 및 식별자
- 우선 이름
- Spiroxatrine
- IUPAC
- 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- 현지명
- 스피록사트린
- 영어명
- SPIROXATRINE
- 분자식
- C22H25N3O3
- 분자량
- 379.45
이름 및 동의어
Spiroxatrine1054-88-2EspiroxatrinaSpiroxatrinumR 5188DTXSID3045198SPIROXAMIDEDR0QR50ALLNSC-665322R-5188DTXCID10251988-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
이름 더 보기
스피록사트린SPIROXATRINE (R 5188) SELECTIVE SEROTONI N 58-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-8-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one(+/-)-8-[(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)METHYL]-1-PHENYL-1,3,8-TRIAZA-SPIRO[4,5]DECAN-4-ONER 5188, (±)-8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triaza-spiro[4,5]decan-4-one
8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-oneRefChem:184962Spiroxatrine (R 5188)Spiroxatrine [INN]8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneCHEMBL300555NSC665322
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 54 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 557
물리화학적 성질
- 녹는점
- 215.8 · 215.8-218.0 °C
- 끓는 점
- 602.8 · 602.8±55.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 저장 조건
- Store at RT
- 용해도
- 0.1 M · 0.1M HCl: 적당히 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 15.03 · 15.03±0.20(Predicted)
- 색상
- 하얀색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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.
응용 분야
용도Spiroxatrine (R 5188) is a SR-1A antagonist.
공급사16 곳
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Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
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