1-사이클로프로필-6,7-디플루오로-1,4-디하이드로-8-메톡시-4-옥소-3-퀴놀린카르복실산에틸에스테르

Moxifloxacin difluoro methoxy ethyl ester

HCID 10758239CAS 112811-71-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)cc2c1=O
InChIKey: XPAOPAPDCRLMTR-UHFFFAOYSA-N
분자식: C16H15F2NO4
평균 분자량: 323.29 g/mol

이름 및 식별자

우선 이름: Moxifloxacin difluoro methoxy ethyl ester
IUPAC: ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
현지명: 1-사이클로프로필-6,7-디플루오로-1,4-디하이드로-8-메톡시-4-옥소-3-퀴놀린카르복실산에틸에스테르
영어명: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester
분자식: C16H15F2NO4
분자량: 323.29

이름 및 동의어

112811-71-91-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl esterMoxifloxacin Difluoro Methoxy Ethyl EsterX3CH2A9DUL3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-, ethyl esterRefChem:819553ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl esterC16H15F2NO4ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid ethyl esterMFCD05864419

이름 더 보기

1-사이클로프로필-6,7-디플루오로-1,4-디하이드로-8-메톡시-4-옥소-3-퀴놀린카르복실산에틸에스테르Gati Ester1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid ethylQuinolinecarboxylateGatifloxacin MacrolideGatifloxacin EthylesterMoxifloxacin Related Compound H1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3- QuinolinecarboxylateEthyl1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-Quinolinecarboxylate1-Cyclopropyl-6,7-Difluoro-1,4-Difluoro-1,4-Dihydro-8-Methoxy-4-Oxo-3-Quinolinecarboxylic Acid Ethyl ester

ETHYL 1-CYCLOPROPYL-6,7-DIFLUORO-8-METHOXY-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLATEethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylateUNII-X3CH2A9DULEthyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxylateSCHEMBL1989474SCHEMBL29391687AC-297AKOS005064002

데이터베이스 식별자

CAS: 112811-71-9
PubChem CID: 10758239
UNII: X3CH2A9DUL
EC Number: 620-302-1
Nikkaji: J1.631.307F

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 534

물리화학적 성질

녹는점: 179 · 179-181°C
끓는 점: 459.7 · 459.7±45.0 °C(Predicted)
밀도: 1.414 · 1.414±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): -2.98 · -2.98±0.40(Predicted)
색상: 흰색에서 연한 노란색
InChI: InChI=1S/C16H15F2NO4/c1-3-23-16(21)10-7-19(8-4-5-8)13-9(14(10)20)6-11(17)12(18)15(13)22-2/h6-8H,3-5H2,1-2H3
InChIKey: XPAOPAPDCRLMTR-UHFFFAOYSA-N
SMILES: N1(C2CC2)C2=C(C=C(F)C(F)=C2OC)C(=O)C(C(OCC)=O)=C1

화학적 성질

Pale Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 60.7% (37 of 61) of all reports.

H412 (39.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAquatic Chronic 3 (39.3%)

안전 데이터

wgk: WGK 3
HS 번호: 2933.49.7000
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사50 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

浙江荣大化工有限公司571-88086013

Syntechem Co.,Ltd[email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

연결된 노트

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