기본 정보
- CAS
158942-04-2- 표준 SMILES
Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1- InChIKey
QJQORSLQNXDVGE-UHFFFAOYSA-N- 분자식
- C17H16N4O
- 평균 분자량
- 292.33 g/mol
- 단동위원소 질량
- 292.13241115
개요
SB 206553 is a pyrroloindole.
이름 및 식별자
- 우선 이름
- 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide
- IUPAC
- 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
- 영어명
- 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo [2,3-f]indole
- 분자식
- C17H16N4O
- 분자량
- 292.34
이름 및 동의어
158942-04-2SB 2065531-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamideSB206553AL4387525TDTXSID90439843,5-dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamideMPCTPI1-methyl-N-(3-pyridyl)-6,7-dihydropyrrolo(2,3-f)indole-5-carboxamide1-methyl-N-(3-pyridyl)-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo(2,3-f)indole-5-carboxamideRefChem:181545
이름 더 보기
SB 206553 HCLSB 206553 HYDROCHLORIDESB-206553 hydrochloride hydrateSB-206553 hydrate hydrochloride1-amino-2-bromo-4-(2-methylanilino)anthracene-9,10-dioneSB 206553 hydrochloride, 5-HT2B and 5-HT2C receptor antagonist5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo [2,3-f]indole5-METHYL-3,5-DIHYDRO-2H-PYRROLO[2,3-F]INDOLE-1-CARBOXYLIC ACID PYRIDIN-3-YLAMIDE
DTXCID7023984SB-2065535-Methyl-N-(pyridin-3-yl)-2,3-dihydropyrrolo[2,3-f]indole-1(5H)-carboxamideBenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl-Tocris-1661CHEMBL2977845-Methyl-N-(pyridin-3-yl)-3,5-dihydropyrrolo[2,3-f]indole-1(2H)-carboxamideBenzo[1,2-b:4,5-b']dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl-
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 50.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 429
물리화학적 성질
- 끓는 점
- 575.4 · 575.4±50.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 저장 조건
- Desiccate at RT
- 용해도
- 2 O: · H2O: 30 mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.5 · 13.50±0.20(Predicted)
- 색상
- 갈색
- 수용성
- 2 O: · H2O: >10mg/mL
- InChI
- 1S/C17H16N4O.ClH.H2O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14;;/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22);1H;1H2
- InChIKey
- NXGFRKQJHLVHIT-UHFFFAOYSA-N
- SMILES
- O.Cl.Cn1ccc2cc3N(CCc3cc12)C(=O)Nc4cccnc4
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
공급사4 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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