ニコチン酸ノルフロキサシン

3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, compd. with 3-pyridinecarboxylic acid (1:1)

HCID 83908CAS 118803-81-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.O=C(O)c1cccnc1
InChIKey: WRIFLTAYLRDENF-UHFFFAOYSA-N
分子式: C22H23FN4O5
平均分子量: 442.4 g/mol
単同位体質量: 442.16524806

概要

structure given in first source

名称と識別子

優先名称: 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, compd. with 3-pyridinecarboxylic acid (1:1)
IUPAC: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;pyridine-3-carboxylic acid
現地名: ニコチン酸ノルフロキサシン
英語名: QUINOLINE-3-CARBOXYLIC ACID
分子式: C10H7NO2
分子量: 173.17

名称と別名

Norfloxacin nicotinate118803-81-9DTXSID101522463-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, mono-3-pyridinecarboxylateRefChem:911626DTXCID30747373-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, compd. with 3-pyridinecarboxylic acid (1:1)1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid compound with nicotinic acid (1:1)Norfloxacin (nicotinate)MFCD008736661-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;pyridine-3-carboxylic acid1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid; pyridine-3-carboxylic acid

名称をさらに表示

ニコチン酸ノルフロキサシンノルフロキサシンニコチナートnuofushaxinAKOS BBS-00005333Norfloxacin NiacinRARECHEM AL BO 1256Quinoline-3-Carboxylicmono-3-pyridinecarboxylateNicotinic acid Norfloxacin InjectionNorfloxacin nicotinate for injectionQUINOLINE-3-CARBOXYLIC ACID ISO 9001：2015 REACH3-quinolinecarboxylicacid,1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl

C22H23FN4O5Mono[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate] 3-Pyridinecarboxylic Acid; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-mono-3-pyridinecarboxylate 3-Quinolinecarboxylic Acid; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic Acid compd. with 3-Pyridinecarboxylic AcidNorfloxacin Nicotinicnicotinic acid NorfloxacinMK-0366 (nicotinate)3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-, mono-3-pyridinecarboxylateorb320745SCHEMBL4864800

データベース識別子

CAS: 118803-81-9
PubChem CID: 83908
DTXSID: DTXSID10152246
EC Number: 629-941-0

物性

構造計算による物性

極性表面積: 123 Å²
水素結合供与体数: 3
水素結合受容体数: 10
回転可能結合数: 4
重原子数: 32
形式電荷: 0
複雑度: 632

物理化学的性質

融点: 277 · 277-280 °C(lit.)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: DMSO (Slightly), Water (Slightly)
外見: 白色から黄色の結晶性固体。
InChI: InChI=1S/C16H18FN3O3.C6H5NO2/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;8-6(9)5-2-1-3-7-4-5/h7-9,18H,2-6H2,1H3,(H,22,23);1-4H,(H,8,9)
InChIKey: WRIFLTAYLRDENF-UHFFFAOYSA-N
SMILES: C12C=C(C(F)=CC=1C(=O)C(C(=O)O)=CN2CC)N1CCNCC1.C1(C(=O)O)=CN=CC=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

安全データ

wgk: 3
safety_code: 22-24/25

化学と産業

応用分野

使用Norfloxacin nicotinate is a fluoroquinolone antibacterial agent that is a norfloxacin derivative with improved solubility in water.

上流・下流製品情報

下流製品

モキシフロキサシンフレロキサシン 1,4-ジヒドロ-6-フルオロ-1-シクロプロピル-5-メチル-7-(3-メチルピペラジン-1-イル)-4-オキソキノリン-3-カルボン酸

サプライヤー50 社

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

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

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]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]