rel-5-(2-Ethoxy-5-(((3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
기본 정보
- CAS
1425504-78-4- 표준 SMILES
CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4C[C@@H](C)N(CC)[C@@H](C)C4)ccc3OCC)[nH]c12- InChIKey
PHHMBEZZFBTULA-CALCHBBNSA-N- 분자식
- C25H36N6O4S
- 평균 분자량
- 516.7 g/mol
이름 및 식별자
- 우선 이름
- rel-5-(2-Ethoxy-5-(((3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
- IUPAC
- 5-[2-ethoxy-5-[(3S,5R)-4-ethyl-3,5-dimethylpiperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
- 영어명
- Methisosildenafil impure
- 분자식
- C25H36N6O4S
- 분자량
- 516.66
이름 및 동의어
1425504-78-4rel-5-(2-Ethoxy-5-(((3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-oneMethisosildenafil Impurity 25-(2-ethoxy-5-(((3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-oneMethisosildenafil impureMethisosildenafil-001-SRMethisosildefilImpurity28Methisosildenafil impure1Methisosildenafil-001-3R5SMethisosildenafiI mpurity 2Methisosildenafil Impurity 287H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[(3R,5S)-4-ethyl-3,5-dimethyl-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-, rel-
이름 더 보기
Sildenafil impurity 32/7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[(3R,5S)-4-ethyl-3,5-dimethyl-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-, rel-
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 912
물리화학적 성질
- 끓는 점
- 682.7 · 682.7±65.0 °C(predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 7.96 · 7.96±0.10(predicted)
관련 반응
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