기본 정보
- CAS
874747-30-5- 표준 SMILES
C/C(=C\C(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O- InChIKey
JZAQVESYNLRDBT-SAPNQHFASA-N- 분자식
- C26H34N8O5
- 평균 분자량
- 538.6 g/mol
- 단동위원소 질량
- 538.26521621
이름 및 식별자
- 우선 이름
- Pentoxifylline EP Impurity J
- IUPAC
- 1-[(E)-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-5-methyl-7-oxoundec-5-enyl]-3,7-dimethylpurine-2,6-dione
- 영어명
- 1,1'-[(5E)-5-Methyl-7-oxo-5-undecene-1,11-diyl] Bis
- 분자식
- C26H34N8O5
- 분자량
- 538.6
이름 및 동의어
874747-30-5Pentoxifylline EP Impurity J(E)-1,1'-(5-methyl-7-oxoundec-5-ene-1,11-diyl)bis(3,7-dimethyl-1H-purine-2,6(3H,7H)-dione)1-[(E)-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-5-methyl-7-oxoundec-5-enyl]-3,7-dimethylpurine-2,6-dione1,1'-[(5E)-5-Methyl-7-oxo-5-undecene-1,11-diyl] Bis[Theobromine]B069A9P6JN(E)-1,1'-(5-Methyl-7-oxoundec-5-ene-1,11-diyl)bis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)1,1'-[(5E)-5-Methyl-7-oxoundec-5-ene-1,11-diyl]bis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)1-((5E)-11-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-5-methyl-7-oxoundec-5-enyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-((5E)-5-methyl-7-oxo-11-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)-5-undecen-1-yl)-3,7-Dihydro-3,7-dimethyl-1-((5E)-5-methyl-7-oxo-11-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)-5-undecen-1-yl)-1H-purine-2,6-dioneTenofovir Impurity 317
이름 더 보기
Pentoxifylline Impurity JPentoxiflline EP Impurity JPentoxifylline Dimer (EP J)Ethoxycocaine EP impurity J
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,030
물리화학적 성질
- 끓는 점
- 826.7 · 826.7±75.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 0.51 · 0.51±0.70(Predicted)
- InChIKey
- JZAQVESYNLRDBT-SAPNQHFASA-N
- SMILES
- N1(C)C2=C(N(C)C(=O)N(CCCC/C(/C)=C/C(=O)CCCCN3C(=O)C4=C(N(C)C3=O)N=CN4C)C2=O)N=C1
화학 및 산업
공급사51 곳
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
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