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기본 정보
- CAS
137330-52-0- 표준 SMILES
C[C@H](c1ncncc1F)C(O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
BCEHBSKCWLPMDN-HQNRFAHOSA-N- 분자식
- C16H14F3N5O
- 평균 분자량
- 349.316 g/mol
- 단동위원소 질량
- 349.11504473
이름 및 식별자
- 우선 이름
- (2R,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
- IUPAC
- (2R,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
- 영어명
- rel-(R,R)-Voriconazole
- 분자식
- C16H14F3N5O
- 분자량
- 349.31
이름 및 동의어
rel-(R,R)-VoriconazoleVoriconazole Impurity 28Azilsartan medoxomil impurity318Voriconazole Related Compound A(USP)(2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyriMidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-olRel-(2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-olrel-(αR,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-Methyl-α-(1H-1,2,4-triazol-1-ylMethyl)-4-pyriMidineethanol4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,R*)- (9CI)(2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol compound with (2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (1:1)
데이터베이스 식별자
- CAS
137330-52-0- PubChem CID
- 53674482
- DTXSID
DTXSID40654662
물성
물리화학적 성질
- 끓는 점
- 508.6 · 508.6±60.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, sealed storage, away from moisture
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
- 산도 계수 (pKa)
- 11.54 · 11.54±0.29(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/s3
- InChIKey
- BCEHBSKCWLPMDN-OHNRHGLTNA-N
- SMILES
- C([n]1ncnc1)[C@@](O)(c1ccc(F)cc1F)[C@@H](C)c1c(F)cncn1 |&1:6,16,r|
화학 및 산업
응용 분야
용도The (R,R)-enantiomer of Voriconazole. An antifungal (systemic). An ergosterol biosynthesis inhibitor.
공급사45 곳
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
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