(aR,bR)-rel-6-Chloro-a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
137234-76-5- 표준 SMILES
C[C@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
BQDLXFABVRRDFU-JDNHERCYSA-N- 분자식
- C16H13ClF3N5O
- 평균 분자량
- 383.75 g/mol
- 단동위원소 질량
- 383.0760722
이름 및 식별자
- 우선 이름
- (aR,bR)-rel-6-Chloro-a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
- IUPAC
- (2R,3R)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
- 영어명
- Voriconazole (2R,3R)-Isomer
- 분자식
- C16H13ClF3N5O
- 분자량
- 383.76
이름 및 동의어
137234-76-5137234-75-4(aR,bR)-rel-6-Chloro-a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanolNZ947DY4H2(2R,3R)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol(aR,?bR)?-?rel-6-?Chloro-?a-?(2,?4-?difluorophenyl)?-?5-?fluoro-?b-?methyl-?a-?(1H-?1,?2,?4-?triazol-?1-?ylmethyl)?-4-?pyrimidineethanol4-Pyrimidineethanol, 6-chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaR)-rel-4-Pyrimidineethanol, 6-chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,R*)-6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol, (alphaR,betaR)-rel-rel-(alphaR,betaR)-6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanolVoriconazole 3-EpimerVoriconazole (2R,3R)-Isomer
이름 더 보기
Azilsartan medoxomil impurity317rel-(αR,βR)-6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
물성
구조 계산 물성보충 중
- XLogP
- 2.5
- 극성 표면적
- 76.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 481
물리화학적 성질
- 끓는 점
- 529.9 · 529.9±60.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 디클로로메탄(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올
- 산도 계수 (pKa)
- 11.44 · 11.44±0.29(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
용도(αR,βR)-rel-6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol is an intermediate in synthesizing rel-(R,R)-Voriconazole (V759990), The (R,R)-enantiomer of Voriconazole. An antifungal (systemic). An ergosterol biosynthesis inhibitor.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…