(5S)-5-(Aminomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxazolidinone

HCID 10780199

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 168828-90-8
표준 SMILES: NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIKey: VXIWZOWWQMRVRF-NSHDSACASA-N
분자식: C14H18FN3O3
평균 분자량: 295.31 g/mol
단동위원소 질량: 295.13321966

이름 및 식별자

우선 이름: (5S)-5-(Aminomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxazolidinone
IUPAC: (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
영어명: (S)-N-[[3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]amine
분자식: C14H18FN3O3
분자량: 295.31

이름 및 동의어

168828-90-8(5S)-5-(Aminomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone(5S)-5-(Aminomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxazolidinoneRefChem:1050625(S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-oneDeacetyl LinezolidPNU-105368MFCD1837930896T3Q5LLFR(-)-(S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-oneLinezolid USP RC CC14H18FN3O3

이름 더 보기

InterMediate of LinezolidLinezolide Impurity CLinezolid Related CoMpound CDeacetyl Linezolidesulfonamide(5S)-5-(aminomethyl)-3-[3-fluoro-4-(morpholine-4-yl)phenyl]-1,3-oxazolidin-2-onePNU105368PNU 105368

(S)-N-((3-(3-Fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)amine2-Oxazolidinone, 5-(aminomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-, (5S)-(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-oneLinezolid Impurity 2LINEZOLID AMINEUNII-96T3Q5LLFRPNU 105868(S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one (Desacetyllinezolid)

데이터베이스 식별자

CAS: 168828-90-8
PubChem CID: 10780199
DTXSID: DTXSID60444845
ChEMBL: CHEMBL4203555
UNII: 96T3Q5LLFR
Nikkaji: J900.996E

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 68 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 378

물리화학적 성질

녹는점: 95 · 95-97°C
끓는 점: 480 · 480.0±45.0 °C(Predicted)
밀도: 1.319 · 1.319
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 8.96 · 8.96±0.29(Predicted)
물리적 상태: 고체
색상: 황백색에서 연한 노란색
주요 응용: 의약품(소분자)
InChI: InChI=1S/C14H18FN3O3/c15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17/h1-2,7,11H,3-6,8-9,16H2/t11-/m0/s1
InChIKey: VXIWZOWWQMRVRF-NSHDSACASA-N
SMILES: O1[C@@H](CN)CN(C2=CC=C(N3CCOCC3)C(F)=C2)C1=O