기본 정보
- CAS
510717-22-3- 표준 SMILES
CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)COc1ccccc1C- InChIKey
BMSLXFPDWCWGAS-UHFFFAOYSA-N- 분자식
- C23H34N6O4
- 평균 분자량
- 458.6 g/mol
- 단동위원소 질량
- 458.26415359
이름 및 식별자
- 우선 이름
- 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 8-[2-(diethylamino)ethylamino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
- 영어명
- 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- 분자식
- C23H34N6O4
- 분자량
- 458.55
이름 및 동의어
510717-22-38-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneOprea1_271693STK555272AKOS000580730AKOS024306026NCGC00307794-01ST50274720AB01305593-01F1144-00498-[2-(diethylamino)ethylamino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
이름 더 보기
8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 8-[[2-(diethylamino)ethyl]amino]-3,7-dihydro-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-
8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-d imethyl-1,3,7-trihydropurine-2,6-dione
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 663
물리화학적 성질
- 끓는 점
- 655.8 · 655.8±65.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.54 · 13.54±0.20(Predicted)
화학 및 산업
공급사5 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
VITAS-BB—
IFLAB-BB[email protected]
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