기본 정보
- CAS
1610851-15-4- 표준 SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1- InChIKey
WAXNIYHZFWRPGS-UTKZUKDTSA-N- 분자식
- C21H20Cl2N2O5S
- 평균 분자량
- 483.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
- IUPAC
- [(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
- 영어명
- Ketoconazole Impurity 6
- 분자식
- C21H20Cl2N2O5S
- 분자량
- 483.37
이름 및 동의어
134071-44-6644X337Z6TKetoconazole impurity E [EP]1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonateEC 603-791-6DTXSID7011051191,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), (2R,4R)-rel-1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), cis-KETOCONAZOLE IMPURITY E [EP IMPURITY]KETOCONAZOLE IMPURITY E (EP IMPURITY)Ketoconazole Impurity E
이름 더 보기
Ketoconazole Impurity 6(2R,4R)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-(4-Methylbenzencis-(2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-yl)methanol p-toluenesulfonate((2S,4S)-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 700
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 665.7 · 665.7±55.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.88 · 6.88±0.12(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Regulatory InformationStatus: Cease Manufacture Update: 26-01-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6571
Hazard Classes and CategoriesNot Classified
화학 및 산업
응용 분야
용도(2R,4R)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-(4-Methylbenzenesulfonate) is an impurity of Ketoconazole (K186000), which is antifungal. Ketoconazole is an inhibitor of cytochrome P-450, 5-lipoxygenase and thromboxane synthase.
공급사14 곳
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
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