이소실데나필
Isosildenafil
기본 정보
- CAS
253178-46-0- 표준 SMILES
CCCc1c2nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c(=O)c2nn1C- InChIKey
AEHJOHLAUWUPQW-UHFFFAOYSA-N- 분자식
- C22H30N6O4S
- 평균 분자량
- 474.6 g/mol
- 단동위원소 질량
- 474.20492463
이름 및 식별자
- 우선 이름
- Isosildenafil
- IUPAC
- 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
- 현지명
- 이소실데나필
- 영어명
- Iso Sildenafil
- 분자식
- C22H30N6O4S
- 분자량
- 474.58
이름 및 동의어
Iso SildenafilIsosildenafilA4UFZ3330VUNII-A4UFZ3330VDTXSID704765317H-Pyrazolo(4,3-d)pyrimidin-7-one, 5-(2-ethoxy-5-((4-methyl-1-piperazinyl)sulfonyl)phenyl)-2,6-dihydro-2-methyl-3-propyl-Piperazine, 1-((3-(4,7-dihydro-2-methyl-7-oxo-3-propyl-2H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-RefChem:201315DTXCID70427341253178-46-05-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-oneSCHEMBL3453681
이름 더 보기
이소실데나필Baloxavir Impurity 93Sildenafil Impurity 66Baloxavir Marboxil Impurity 93Sildenafil Impurity 4 (Iso Sildenafil)5-[2-Ethoxy-5-[(4-Methyl-1-piperazinyl)sulfonyl]phenyl]-2,6-dihydro-2-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidin-7-one1-[[3-(4,7-Dihydro-2-Methyl-7-oxo-3-propyl-2H- pyrazolo[4,3-d]pyriMidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-Methylpiperazi7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2,6-dihydro-2-methyl-3-propyl-
SCHEMBL148364555-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-oneNS00015874Sildenafil Impurity 169( (Iso Sildenafil))Q272736305-(2-ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-2-methyl-3-propyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one5-[2-Ethoxy-5-(4-methylpiperazine-1-sulfonyl)phenyl]-2-methyl-3-propyl-2,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
데이터베이스 식별자
- CAS
253178-46-0- PubChem CID
- 135565320
- DTXSID
DTXSID70476531- UNII
- A4UFZ3330V
- Nikkaji
- J1.203.939E
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 838
물리화학적 성질
- 녹는점
- 200 · 200-203°C (dec.)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 9.82 · 9.82±0.20(Predicted)
- 물리적 상태
- 고체
- 색상
- 옅은 노랑
화학적 성질
Pale Yellow Solid
화학 및 산업
응용 분야
용도Iso Sildenafil is the isomer of Sildenafil methylated at N-2 position of the pyrazolo[4,3-d]pyrimidin-7-one nucleus.
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