기본 정보
- CAS
79855-88-2- 표준 SMILES
COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)n(C)c(=O)n1CC2- InChIKey
MCMSJVMUSBZUCN-UHFFFAOYSA-N- 분자식
- C24H27N3O3
- 평균 분자량
- 405.5 g/mol
- 단동위원소 질량
- 405.20524173
개요
9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is a pyridopyrimidine.
이름 및 식별자
- 우선 이름
- Trequinsin
- IUPAC
- 9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
- 현지명
- 트레퀸신
- 영어명
- Trequinsin
- 분자식
- C24H27N3O3
- 분자량
- 405.49
이름 및 동의어
trequinsin79855-88-2TrequinsineTrequinsinumtrequinsina739I2958C1DTXSID20484582,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-4H-pyrimido(6,1-a)isoquinolin-4-one, monohydrochloride9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido(4,3-a)isoquinolin-4-one9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[4,3-a]isoquinolin-4-oneRefChem:190767DTXCID2028432
이름 더 보기
트레퀸신2,3,6,7-Tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-4H-pyrimido[6,1-a]isoquinolin-4-one2-[(2,4,6-Trimethylphenyl)imino]-3-methyl-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinoline-4-one4H-Pyrimido[6,1-a]isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-
HL-725Trequinsin [INN]9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-oneCHEMBL2859132,3,6,7-Tetrahydro-2-(mesitylimino)-9,10-dimethoxy-3-methyl-4H-pyrimido(6,1-a)isoquinolin-4-oneTrequinsine [INN-French]Trequinsinum [INN-Latin](2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 54.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 708
물리화학적 성질
- 녹는점
- 151 · 151-152 °C
- 끓는 점
- 593.2 · 593.2±60.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.99 · 8.99±0.20(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
공급사1 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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