7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 483169

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 68077-26-9
표준 SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21
InChIKey: WNNSMMJBBOPPOT-UHFFFAOYSA-N
분자식: C12H9ClFNO3
평균 분자량: 269.65 g/mol
단동위원소 질량: 269.02549905

이름 및 식별자

우선 이름: 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
영어명: 1-Ethyl-7-chloro-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
분자식: C12H9ClFNO3
분자량: 269.66

이름 및 동의어

68077-26-97-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidNorfloxacin impurity A7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-831B5OC9PQCGA-78039Norfloxacin impurity A [EP]DTXSID90333112NORFLOXACIN IMPURITY A [EP IMPURITY]M-193324NORFLOXACIN IMPURITY A (EP IMPURITY)

이름 더 보기

Norfloxacin Q-AcidNORF-007AKOS 1303TIMTEC-BB SBB003042Norfloxacin EP Imp ANorfloxacin ImpurityⅠNorfloxacin Impurity 11Norfloxacincarboxylicacid

RefChem:546022DTXCID20208728614-262-41-ETHYL-7-CHLORO-6-FLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acidNorfloxacin EP Impurity AMFCD00792459C12H9ClFNO3

데이터베이스 식별자

CAS: 68077-26-9
PubChem CID: 483169
DTXSID: DTXSID90333112
ChEMBL: CHEMBL29989
UNII: 831B5OC9PQ
EC Number: 614-262-4
Nikkaji: J94.731H

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 412

물리화학적 성질

녹는점: 245 °C · 245°C
끓는 점: 437.9 · 437.9±45.0 °C(Predicted)
밀도: 1.3905 · 1.3905 (estimate)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
물리적 상태: powder
산도 계수 (pKa): -0.21 · -0.21±0.20(Predicted)
색상: 흰색에서 연한 노란색
주요 응용: 의약품(소분자)
InChI: 1S/C12H9ClFNO3/c1-2-15-5-7(12(17)18)11(16)6-3-9(14)8(13)4-10(6)15/h3-5H,2H2,1H3,(H,17,18)/p-1
InChIKey: WNNSMMJBBOPPOT-UHFFFAOYSA-N
SMILES: Fc1cc2c(cc1Cl)N(C=C(C2=O)C(=O)[O-])CC

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.