Clinafloxacin

HCID 60063CAS 105956-97-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
InChIKey: QGPKADBNRMWEQR-UHFFFAOYSA-N
분자식: C17H17ClFN3O3
평균 분자량: 365.8 g/mol
단동위원소 질량: 365.0942473

개요

7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid is a member of quinolines.

이름 및 식별자

우선 이름: Clinafloxacin
IUPAC: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
영어명: Clinafloxacin
분자식: C17H17ClFN3O3
분자량: 365.79

이름 및 동의어

CLINAFLOXACIN105956-97-6CI-960clinafloxacineclinafloxacino7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid8N86XTF9QDAM-1091PD-127391DTXSID80869455PD 1273917-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

이름 더 보기

Aids007759Aids-007759ClinfloxacinColinflosaxinClinofloxacinClinafloxacin (AM-1091Clinafloxacin USP/EP/BP

3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-clinafloxacinumPD127,391RefChem:126971PD-127,391DTXCID408174377-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidC17H17ClFN3O3

데이터베이스 식별자

CAS: 105956-97-6
PubChem CID: 60063
DTXSID: DTXSID80869455
ChEMBL: CHEMBL278255
ChEBI: CHEBI:94459
UNII: 8N86XTF9QD
EC Number: 802-484-6
Nikkaji: J356.773G

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 86.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 25
형식 전하: 0
복잡도: 626

실험 및 물리화학적 성질

Solubility>54.9 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 253 · 253-258 C
끓는 점: 592.3 · 592.3±50.0 °C(Predicted)
밀도: 1.573 · 1.573±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 아세트산(약간 용해됨), DMSO(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 6.39 · 6.39±0.50(Predicted)
색상: 페일베이지
InChI: InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)
InChIKey: QGPKADBNRMWEQR-UHFFFAOYSA-N
SMILES: N1(C2CC2)C2=C(C=C(F)C(N3CCC(N)C3)=C2Cl)C(=O)C(C(O)=O)=C1
EPA: Clinafloxacin (105956-97-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (100%)

안전 데이터

rtecs: VB1800600
risk_code: 36/37/38-63
hazard_code: Xi,Xn
safety_code: 26-36-36/37

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

용도Clinafloxacin is a fluoroquinolone that inhibits both DNA gyrase and topoisomerase IV.

상·하류 제품 정보

상류 원료

A mixture of: (R)-7-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid: (S)-7-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid 3-아미노피롤리딘 트리에틸렌디아민 2-메톡시 에탄올 피발알데히드

공급사50 곳

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]

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

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