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기본 정보
- CAS
155432-64-7- 표준 SMILES
C[C@@H](n1ncn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
CBHTUKXHISWMTH-JLCFBVMHSA-N- 분자식
- C23H20F6N6O3
- 평균 분자량
- 542.44 g/mol
- 단동위원소 질량
- 542.15010782
이름 및 식별자
- 우선 이름
- 2-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 2-[(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- 영어명
- 2-(2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-4-(4-(2,2,3,3- tetrafluoropropoxy)phenyl)- 3(2H,4H)-1,2,4-triazolone
- 분자식
- C23H20F6N6O3
- 분자량
- 542.43
이름 및 동의어
TAK 1872-(2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-4-(4-(2,2,3,3- tetrafluoropropoxy)phenyl)- 3(2H,4H)-1,2,4-triazolone3H-1,2,4-Triazol-3-one, 2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-2,4-dihydro-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-
데이터베이스 식별자
- CAS
155432-64-7- PubChem CID
- 479655
- DTXSID
DTXSID20935209- ChEMBL
CHEMBL54333- UNII
- 08VSM3612T
- Nikkaji
- J703.321D
물성
물리화학적 성질
- 끓는 점
- 660.4 · 660.4±65.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.89 · 11.89±0.29(Predicted)
화학 및 산업
공급사2 곳
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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