3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, hydrochloride (1:1)

HCID 60062CAS 105956-99-8

基本情報

標準SMILES: Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
InChIKey: BMACYHMTJHBPOX-UHFFFAOYSA-N
分子式: C17H18Cl2FN3O3
平均分子量: 402.2 g/mol
単同位体質量: 401.07092502

名称と識別子

優先名称: 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, hydrochloride (1:1)
IUPAC: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

名称と別名

Clinafloxacin hydrochloride105956-99-8Clinafloxacin HClCI-960 HClNSC-759859G17M59V0FY3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, hydrochloride (1:1)RefChem:1068782Clinafloxacin (hydrochloride)7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochlorideClinafloxacin hydrochloride [USAN](+-)-7-(3-Amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, monohydrochloride

名称をさらに表示

7-(3-Amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid HydrochlorideClinafloxacin hydrochloride (USAN)7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid;hydrochlorideC17H18Cl2FN3O3Clinafoxacin hydrochlorideUNII-G17M59V0FYCI 960 HClClinafoxacin HCl

データベース識別子

CAS: 105956-99-8
PubChem CID: 60062
DTXSID: DTXSID70909839
ChEMBL: CHEMBL537626
UNII: G17M59V0FY

物性

構造計算による物性

極性表面積: 86.9 Å²
水素結合供与体数: 3
水素結合受容体数: 7
回転可能結合数: 3
重原子数: 26
形式電荷: 0
複雑度: 626