옥사졸리디논

2-Oxazolidinone

HCID 73949CAS 497-25-6

기본 정보

표준 SMILES
O=C1NCCO1
InChIKey
IZXIZTKNFFYFOF-UHFFFAOYSA-N
분자식
C3H5NO2
평균 분자량
87.08 g/mol
단동위원소 질량
87.0320284

개요

Oxazolidin-2-one is an oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2. It has a role as a metabolite. It is a carbamate ester and an oxazolidinone.

이름 및 식별자

우선 이름
2-Oxazolidinone
IUPAC
1,3-oxazolidin-2-one
현지명
2-옥사졸리돈
영어명
2-Oxazolidone
분자식
C3H5NO2
분자량
87.08

이름 및 동의어

2-OxazolidinoneOxazolidin-2-one2-Oxazolidone497-25-61,3-Oxazolidin-2-oneOxazolidoneCHEBI:1237Z4D49W92PPNSC-35382NSC-38240Carbamic acid, (2-hydroxyethyl)-, gamma-lactoneDTXSID2074326
이름 더 보기
2-옥사졸리돈OxazolidineNSC 353822-Oxazolinone2-OXAZOLIDIONE2-OX2-Oxa
2 oxazolidinone2 OxazolidoneOxazolidin 2 one1,3 Oxazolidin 2 one1,3-oxazolidine-2-oneRefChem:1688681,3 Oxazolidine 2 oneDTXCID4040719

데이터베이스 식별자

CAS
497-25-6、51667-26-6
PubChem CID
73949
DTXSID
DTXSID2074326
ChEMBL
CHEMBL1867161
ChEBI
CHEBI:1237
UNII
Z4D49W92PP
EC Number
207-840-9
Nikkaji
J36.850D

물성

구조 계산 물성

XLogP
-0.3
극성 표면적
38.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials PropertiesCrystal structure
Solubility>13.1 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
83 · 83-87 °C(lit.)
끓는 점
220 °C48 · 220 °C48 mm Hg(lit.)
밀도
1.2736 · 1.2736 (rough estimate)
굴절률
1.494 · 1.4940 (estimate)
인화점
220 °C/48mm · 220°C/48mm
저장 조건
Sealed in dry,Room Temperature

화학적 성질

off-white to yellow-beige crystals or powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 47.4% (36 of 76) of reports.

Warning

H302 (51.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2-Oxazolidinone

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazards SummaryA strong eye irritant; May cause skin sensitization; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (497-25-6[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]
Hazard Classes and CategoriesAcute Tox. 4 (51.3%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
RQ2450000
독성
TDLo orl-mus: 1000 mg/kg:ETA BCPCA62,168,59
HS 번호
29322980
risk_code
22-36-43-40-36/37/38

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Compounds which inhibit the synthesis of proteins. They are usually ANTI-BACTERIAL AGENTS or toxins. Mechanism of the action of inhibition includes the interruption of peptide-chain elongation, the blocking the A site of ribosomes, the misreading of the genetic code or the prevention of the attachment of oligosaccharide side chains to glycoproteins.

용도 및 제조

UsesDerivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents. [ChemIDplus]
General Manufacturing Information2-Oxazolidinone: ACTIVE

응용 분야

용도As an oxazole derivative used as an antibiotic, 2-Oxazolidone is also used in the preparation of compounds with antitumor activity and as a metabolite of Furazolidone (F864100).

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.

관련 반응

513건

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