5-Amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 5257CAS 111542-93-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1
InChIKey: DZZWHBIBMUVIIW-UHFFFAOYSA-N
분자식: C19H22F2N4O3
평균 분자량: 392.4 g/mol
단동위원소 질량: 392.165997

개요

See also: Sparfloxacin (annotation moved to).

이름 및 식별자

우선 이름: 5-Amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
영어명: Sparfloxacin
분자식: C19H22F2N4O3
분자량: 392.4

이름 및 동의어

111542-93-95-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidDTXSID9058652RefChem:300901DTXCID6032304C19H22F2N4O35-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidNCGC00159333-02A6KPS798SX5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acidMLS001213240CHEMBL15273

이름 더 보기

PD-131501SPARFLOXACINSparfloxacinHClSparfloxacinSparaValine Impurity 118Sparfloxacin USP/EP/BPSparfloxacinhydrochlorideSparfloxacin Intermediates5-AMINO-1-CYCLOHEXYL-7-(CIS-3,5-DIMETHYLPIPERAZINO)-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID

SCHEMBL1387460HMS3655C20HMS5080G195-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acids1884AKOS0041199715-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid,

데이터베이스 식별자

CAS: 111542-93-9
PubChem CID: 5257
DTXSID: DTXSID9058652
ChEMBL: CHEMBL15273
UNII: A6KPS798SX
Nikkaji: J380.581F

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 98.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 9
회전 가능 결합 수: 3
무거운 원자 수: 28
형식 전하: 0
복잡도: 691

실험 및 물리화학적 성질

Dissociation Constants6.1

물리화학적 성질

녹는점: 260 · 260-265 °C
끓는 점: 640.4 · 640.4±55.0 °C(Predicted)
밀도: 1.436 · 1.436±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열)
산도 계수 (pKa): 6.42 · 6.42±0.50(Predicted)
물리적 상태: 고체
색상: 연한 노란색에서 노란색까지

안전 및 규제

안전 데이터

wgk: 2
rtecs: VB1986500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

응용 분야

용도Antibacterial.

상·하류 제품 정보

상류 원료

공급사40 곳

北京华美互利生物化工010-56205725 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

LGM Pharma1-(800)-881-8210 · [email protected]

연결된 노트

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