1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (HCID 5210422)

이름 및 식별자

우선 이름: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
IUPAC: 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
영어명: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid
분자식: C13H9F2NO3
분자량: 265.21

이름 및 동의어

93107-30-31-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidEC 413-760-7RefChem:431949413-760-71-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidMFCD016463751-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid6,7-Difluoro-4-oxo-1-cyclopropyl-1,4-dihydro-quinoline-3-carboxylic acid1-CYCLOPROPYL-1,4-DIHYDRO-6,7-DIFLUORO-4-OXOQUINOLINE-3-CARBOXYLIC ACID1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid

이름 더 보기

14002-6N7-difluoro-4-oxo-1Valine Impurity 125Ciprofloxacin IntermediateCIPROFLOXACIN CARBOXYLIC ACIDMoxifloxacin Difluoro Acid ImpurityBexifloxacin hydrochloride intermediate *1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carb...

1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicAcid1 -cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid1-Cyclorpropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinoline Carboxylic Acid6,7-difluoro-1-cyclopropyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acidMoxifloxacin Impurity 243-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-; 1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid; 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic AcidSCHEMBL501238

데이터베이스 식별자

CAS: 93107-30-3
PubChem CID: 5210422
DTXSID: DTXSID40869113
ChEMBL: CHEMBL4204733
EC Number: 413-760-7
Nikkaji: J547.561I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 461

물리화학적 성질

녹는점: 289 °C · 289°C(lit.)
끓는 점: 434.2 · 434.2±45.0 °C(Predicted)
밀도: 1.63 · 1.630±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 에 용해됨DMSO
물리적 상태: 고체
산도 계수 (pKa): 6.36 · 6.36±0.41(Predicted)
색상: 회백색
InChI: InChI=1S/C13H9F2NO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)
InChIKey: KNEXGVPHPGXAGF-UHFFFAOYSA-N
SMILES: N1(C2CC2)C2=C(C=C(F)C(F)=C2)C(=O)C(C(O)=O)=C1

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H361f ***: Suspected of damaging fertility [Warning Reproductive toxicity]；H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)

Warning

유해성 정보

Regulatory InformationStatus: Active Update: 10-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8484

Hazard Classes and Categories · 3건

Repr. 2 (97%)；Aquatic Chronic 3 (97%)

Reproductive toxicity - category 2；Hazardous to the aquatic environment (chronic) - category 3

Repr. 2；Aquatic Chronic 3

규제 정보

Regulatory InformationStatus: Active Update: 10-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8484

안전 데이터

HS 번호: 2933.49.7000
risk_code: 62-52/53
hazard_code: Xn
safety_code: 22-36/37-61

화학 및 산업

응용 분야 · 2건

용도1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid is a metabolite of Moxifloxacin (M745000) and is used in the synthesis of chiral aminopiperidinyl quinolones as potent antibacterial agents against resistant pathogens.

일반 설명1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid and 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3 -Carboxylic Acid has a similar structure; the difference lies in the number of substituted fluorine atoms. They could be formed as an intermediate during the synthesis of ciprofloxacin hydrochloride, a fluorinated quinolone antibacterial drug.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

연결된 노트

불러오는 중…

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

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