Flomoxef

HCID 65864CAS 99665-00-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@@H]21
InChIKey
UHRBTBZOWWGKMK-DOMZBBRYSA-N
분자식
C15H18F2N6O7S2
평균 분자량
496.5 g/mol
단동위원소 질량
496.06464536

개요

Flomoxef is a second-generation oxacephem antibiotic in which the oxazine ring is substituted at C-3 with a hydroxyethyl-substituted tetrazolylthiomethyl group and the azetidinone ring carries 7alpha-methoxy and 7beta-{2-[(difluoromethyl)thiomethyl]acetamido} substituents. It has a role as an antibacterial drug. It is an organonitrogen heterocyclic antibiotic, a N-acyl-amino acid and an oxacephem.

이름 및 식별자

우선 이름
Flomoxef
IUPAC
(6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
영어명
Flomoxef
분자식
C15H18F2N6O7S2
분자량
496.47

이름 및 동의어

Flomoxef99665-00-6FlomoxefumFMOXV9E5U5XF42CHEBI:135813DTXSID50488456315-S(6R,7R)-7-{2-[(difluoromethyl)sulfanyl]acetamido}-3-({[1-(2-hydroxyethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-(2-((difluoromethyl)sulfanyl)acetamido)-3-(((1-(2-hydroxyethyl)-1H-1,2,3,4-tetrazol-5-yl)sulfanyl)methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidoxacephem 6315-SRefChem:140714
이름 더 보기
FlumarinFLOMOEXFFlomoxef AcidFlomoxef MonomerFlomoxef USP/EP/BPFlomoxef Acid(Sodium)8-Pyridinecarboxamide,N-phenyl-Flomoxef Sodium、Flumarin、Sodium Flomoxef
J01DC14DTXCID501508513Flomoxef [INN](6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidFlomoxef (INN)FlomoxefoS 6315(6R,7R)-7-{2-[(difluoromethyl)sulfanyl]acetamido}-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

데이터베이스 식별자

CAS
99665-00-6
PubChem CID
65864
DTXSID
DTXSID5048845
ChEMBL
CHEMBL15413
ChEBI
CHEBI:135813
UNII
V9E5U5XF42
Nikkaji
J37.274I

물성

구조 계산 물성

XLogP
-1.3
극성 표면적
220 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
14
회전 가능 결합 수
11
무거운 원자 수
32

실험 및 물리화학적 성질

Drugs · 3건

Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Antibiotics

물리화학적 성질

녹는점
82.5 · 82.5-87.5°
밀도
1.85 · 1.85±0.1 g/cm3(Predicted)
저장 조건
-20 °C · Store at -20°C
용해도
메탄올,DMSO에 용해됨
물리적 상태
고체
산도 계수 (pKa)
3.26 · 3.26±0.40(Predicted)

안전 및 규제

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Flomoxef

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

화학 및 산업

약리 정보

ATC Code · 2건

J - Antiinfectives for systemic use

QJ - Antiinfectives for systemic use

응용 분야 · 2건

개요Flomoxef sodium is a P-lactamase resistant oxacephalosporin. Its spectrum of activity is similar to that of cefazolin and moxalactam, but with better efficacy against Staphylococcus aureus and Bacteroides fragilis. Flomoxef is reported effective in the treatment of post-operative, urinary tract and abdominal cavity infections.

용도Flomoxef is an oxacephem derived beta-lactam antibiotic that is particularly effective against gram-positive bacteria.

상·하류 제품 정보

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

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