1-Ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 9835179CAS 75338-42-0

기본 정보

표준 SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(F)c(F)c21
InChIKey: FKKUVCHFRDLBHN-UHFFFAOYSA-N
분자식: C12H8F3NO3
평균 분자량: 271.19 g/mol
단동위원소 질량: 271.04562778

이름 및 식별자

우선 이름: 1-Ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 1-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
영어명: 1-Ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-2-quinolinecarboxylic acid
분자식: C12H8F3NO3
분자량: 271.19

이름 및 동의어

75338-42-01-ETHYL-6,7,8-TRIFLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID3-Quinolinecarboxylic acid, 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-1-ethyl-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylic Acid1-ETHYL-6,7,8-TRIFLUORO-4-OXOQUINOLINE-3-CARBOXYLIC ACID1-Ethy-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylicacidLomefloxacin Impurity 51-ETHYL-6,7,8-TRIFLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID;1-Ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidMFCD066200981-Ethy-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid1-Ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidSCHEMBL500816

이름 더 보기

Lomefloxacin 7-Fluoro Impurity1-Ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-2-quinolinecarboxy...1-ETHYL-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLICACID1-Ethyl-6,7,8-Trifluoro-1,4-Digydro-4-Oxo-3-Quinolinecarboxylicacid1-Ethyl-4-oxo-6,7,8-trifluoro-1,4-dihydroquinoline-3-carboxylic acid

CHEMBL128961SCHEMBL30843076DTXSID70431504FKKUVCHFRDLBHN-UHFFFAOYSA-N1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acidAKOS000279620SB69383

데이터베이스 식별자

CAS: 75338-42-0
PubChem CID: 9835179
DTXSID: DTXSID70431504
ChEMBL: CHEMBL128961
EC Number: 616-213-2
Nikkaji: J135.048J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 440

물리화학적 성질

녹는점: 211 · 211-213 °C
끓는 점: 401.7 · 401.7±45.0 °C(Predicted)
밀도: 1.527 · 1.527±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 0 · -0+-.0.20(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도1-Ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid is an impurity of Lomefloxacin (L469415),a fluorinated quinolone antibacterial and a DNA gyrase antagonist.