기본 정보
- CAS
1771765-84-4- 표준 SMILES
O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(-c3nn[nH]n3)nc2)c(F)c1- InChIKey
MIXXTDJJUKULIC-LLVKDONJSA-N- 분자식
- C16H13FN6O3
- 평균 분자량
- 356.31 g/mol
- 단동위원소 질량
- 356.10331646
이름 및 식별자
- 우선 이름
- Desmethyl tedizolid
- IUPAC
- (5R)-3-[3-fluoro-4-[6-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
- 영어명
- (R)-3-(4-(6-(1H-tetrazol-5-yl)pyridin-3-yl)-3-fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one
- 분자식
- C16H13FN6O3
- 분자량
- 356.31
이름 및 동의어
desmethyl tedizolidTedizolid Impurity 151771765-84-4(R)-3-(4-(6-(1H-tetrazol-5-yl)pyridin-3-yl)-3-fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one(R)-3-(4-(6-(2H-Tetrazol-5-yl)pyridin-3-yl)-3-fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-oneSCHEMBL28725114SCHEMBL29832850Z11QI50Q37CS-0164630Q27294850(R)-3-(4-(6-(2H-tetrazol-5-yl)pyridin-3-yl)-3-fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one? (Tedizolid Impurity pound(c)Torezolid-7
이름 더 보기
Tedizolid impurity593Tedizolid Impurity 27Terazolamide impurity 8(R)-3-(4-(6-(2H-tetrazol-5-yl)pyridin-3-yl)(R)-3-(4-(6-(1H-tetrazol-5-yl)pyridin-3-yl)-3-fluorophenyl)-5- (hydroxymethyl)oxazolidin-2-one2-Oxazolidinone, 3-[3-fluoro-4-[6-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-, (5R)-(R)-3-(4-(6-(2H-tetrazol-5-yl)pyridin-3-yl)-3-fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one? (Tedizolid Impurity）Tedizolid impurity 22/(R)-3-(4-(6-(1H-tetrazol-5-yl)pyridin-3-yl)-3-fluorophenyl)-5- (hydroxymethyl)oxazolidin-2-one
데이터베이스 식별자
- CAS
1771765-84-4- PubChem CID
- 91826967
- UNII
- Z11QI50Q37
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 514
물리화학적 성질
- 끓는 점
- 629.6 · 629.6±65.0 °C(Predicted)
- 밀도
- 1.509 · 1.509±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 산도 계수 (pKa)
- 14.05 · 14.05±0.10(Predicted)
화학 및 산업
공급사31 곳
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