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기본 정보
- CAS
161532-65-6- 표준 SMILES
CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O- InChIKey
OPFHZSVWSCMEPV-AYAMJOBCSA-N- 분자식
- C37H42F2N8O3
- 평균 분자량
- 684.792 g/mol
- 단동위원소 질량
- 684.33479364
이름 및 식별자
- 우선 이름
- 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[4-(4-{4-[5-oxo-1-(pentan-3-yl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}piperazin-1-yl)phenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)pentitol
- IUPAC
- 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[4-(4-{4-[5-oxo-1-(pentan-3-yl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}piperazin-1-yl)phenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
- 영어명
- D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-(1-ethylpropyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]Methyl]-1-(1H-1,2,4-triazol-1-yl)-
- 분자식
- C37H42F2N8O3
- 분자량
- 684.79
이름 및 동의어
Sch 51048Posaconazole DeshydroxyDeshydroxy Posaconazoleposaconazole impurityABCDEFGHIDeshydroxy Posaconazole ImpurityN-Des(D-threo-pentitol),-N-(3-pentyl)-Posaconazole1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-2-formyl-N-(4-(4-(4-hydroxy phenyl)piperazin-1-yl)phenyl)hydrazine-1-carboxamide4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-pentan-3 -yl-1,2,4-triazol-3-oneD-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-(1-ethylpropyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]Methyl]-1-(1H-1,2,4-triazol-1-yl)-
데이터베이스 식별자
- CAS
161532-65-6- PubChem CID
- 181442
- DTXSID
DTXSID10936543- ChEMBL
CHEMBL440781
물성
물리화학적 성질
- 녹는점
- 165 · 165 - 167°C
- 끓는 점
- 818.1 · 818.1±75.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 6.54 · 6.54±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
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