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Balofloxacin

HCID 65958
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
127294-70-6
표준 SMILES
CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1
InChIKey
MGQLHRYJBWGORO-UHFFFAOYSA-N
분자식
C20H24FN3O4
평균 분자량
389.4 g/mol
단동위원소 질량
389.17508442

이름 및 식별자

우선 이름
Balofloxacin
IUPAC
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
영어명
Balofloxacin
분자식
C20H24FN3O4
분자량
389.42

이름 및 동의어

Balofloxacin127294-70-6Q-RoxinDTXSID5046695balofloxacinebalofloxacinoQ022B63JPM1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acidDTXCID30266953-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
이름 더 보기
q35Barlow of sandBALOFLOXACIN 98.5%Balofloxacin425.46Balofloxacin, >=99%Balofloxacin hydrateBalofloxacin USP/EP/BPCypermethrin Impurity 4Balofloxacin, 10 mM in DMSO
balofloxacinumBalofoxBazucin1-cyclopropyl-6-fluoro-8-methoxy-7-(3-(methylamino)piperidin-1-yl)-4-oxoquinoline-3-carboxylic acidRefChem:1163831-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminopiperidine-1-yl)-4-oxoquinoline-3-carboxylic acid1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-(methylamino)piperidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidBalofloxacin [INN]

데이터베이스 식별자

CAS
127294-70-6
PubChem CID
65958
DTXSID
DTXSID5046695
ChEMBL
CHEMBL1210954
UNII
Q022B63JPM
Nikkaji
J501.164G

물성

구조 계산 물성

XLogP
0.6
극성 표면적
82.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
28
형식 전하
0
복잡도
668

물리화학적 성질

녹는점
137 °C · 137°C
끓는 점
608.3 · 608.3±55.0 °C(Predicted)
밀도
1.4 · 1.40±0.1 g/cm3(Predicted)
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C
용해도
2 O · H2O : < 0.1 mg/mL (insoluble)DMSO : 0.67 mg/mL (1.72 mM; Need ultrasonic)
산도 계수 (pKa)
6.44 · 6.44±0.50(Predicted)
물리적 상태
Solid
색상
White to off-white
BRN
8362117 · 8362117
InChI
InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChIKey
MGQLHRYJBWGORO-UHFFFAOYSA-N
SMILES
N1(C2CC2)C2=C(C=C(F)C(N3CCCC(NC)C3)=C2OC)C(=O)C(C(O)=O)=C1

화학적 성질

Crystalline Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances that inhibit the growth or reproduction of BACTERIA.

Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.

응용 분야 · 2건

개요Balofloxacin, a novel orally-active fluoroquinolone antibiotic, was introduced in South Korea for the treatment of urinary tract infections (UTI). It can be synthetized by reaction of 3-(methylamino)piperidine with the classical 4-quinolone-3-carboxylic acid template. In vitro antibacterial activity of balofloxacin against gram-positive bacteria (Staphylococcus aureus including methicillin-resistant S. aureus, Staphylococcus epidermis, Streptococcus pneumonia, Streptococcus pyrogenes) was almost equal to that of sparfloxacin or tosufloxacin, in contrast its activity against gram-negative bacteria was 2 times or more lower. In clinical trials, balofloxacin was well tolerated and showed comparable efficacy to ofloxacin in patients with UTls. After oral administration, balofloxacin was well absorbed, and was primarily eliminated unchanged in the urine with an elimination half-life of approximately 8 h. In animal studies, balofloxacin did not exhibit any phototoxicity.

용도Balofloxacin is quinolone antibiotic, inhibiting the synthesis of bacterial DNA by interference with the enqyme DNA gyrase.

상·하류 제품 정보

상류 원료

다이메틸 설폭사이드메틸산 나트륨트리에틸아민3-아세트아미도피페리딘

관련 반응

2건
반응 기록 만들기
HRID 295345 반응식
HRID 295345생성물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 729071 반응식
HRID 729071생성물로uspto-grants-1991_09

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
4-Dihydro-4-oxoquinoline-3-carboxylate
레스메트린

공급사100 곳

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