Tosufloxacin

HCID 5517CAS 100490-36-6

기본 정보

표준 SMILES
NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1
InChIKey
WUWFMDMBOJLQIV-UHFFFAOYSA-N
분자식
C19H15F3N4O3
평균 분자량
404.3 g/mol
단동위원소 질량
404.109625

개요

7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid is a 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 3-aminopyrrolidin-1-yl substituents at positions 1, 6 and 7 respectively. It is a monocarboxylic acid, an amino acid, an organofluorine compound, an aminopyrrolidine, a primary amino compound, a tertiary amino compound, a 1,8-naphthyridine derivative and a quinolone antibiotic. It is a conjugate base of a 1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium.

이름 및 식별자

우선 이름
Tosufloxacin
IUPAC
7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
영어명
TOSUFLOXACIN TOSILATE
분자식
C19H15F3N4O3
분자량
404.34

이름 및 동의어

Tosufloxacin100490-36-6Abbott 61827Abbott-61827A 618277-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acidA 67107A-61827tosufloxacinetosufloxacinoGHJ553KQPS
이름 더 보기
Ozexa67107a61827A-60969ToskisasinAids007807Aids-007807abbott61827WUWFMDMBOJLQIV-UHFFFAOYSA-N
CHEBI:77581A-67107DTXSID2044135T-3262TFLX7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acidtosufloxacinumRefChem:190480

데이터베이스 식별자

CAS
100490-36-6、1400591-39-0
PubChem CID
5517
DTXSID
DTXSID2044135
ChEMBL
CHEMBL273348
ChEBI
CHEBI:77581
UNII
GHJ553KQPS
Nikkaji
J243.072J

물성

구조 계산 물성

XLogP
0.4
극성 표면적
99.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
3
무거운 원자 수
29

실험 및 물리화학적 성질

Drugs · 2건

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

Pharmaceuticals -> Antibiotics

물리화학적 성질

끓는 점
614.4 · 614.4±55.0 °C(Predicted)
밀도
1.558 · 1.558±0.06 g/cm3(Predicted)
산도 계수 (pKa)
5.79 · 5.79±0.70(Predicted)
InChI
InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)
InChIKey
WUWFMDMBOJLQIV-UHFFFAOYSA-N
SMILES
N1(C2=CC=C(F)C=C2F)C2C(=CC(F)=C(N3CCC(N)C3)N=2)C(=O)C(C(O)=O)=C1

화학 및 산업

약리 정보

ATC Code · 4건

S - Sensory organs

J - Antiinfectives for systemic use

QS - Sensory organs

QJ - Antiinfectives for systemic use

응용 분야

용도Tosufloxacin Tosilate (CAS# 100490-36-6) was identified in a Haemophilus influenza clone ST422.

공급사18 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海艾梯西生物科技有限公司18721763493

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1건

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