8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid

HCID 534278CAS 82419-35-0

基本情報

標準SMILES: CC1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChIKey: NVKWWNNJFKZNJO-UHFFFAOYSA-N
分子式: C13H9F2NO4
平均分子量: 281.21 g/mol

名称と識別子

優先名称: 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid
IUPAC: 6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

名称と別名

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acidRefChem:547200700-160-882419-35-0Ofloxacin Q acidMFCD00226106Ofloxacin Impurity AOfloxacin Q acid, (+/-)-7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

名称をさらに表示

6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid501W86694ZOxygen-fluorine acidC13H9F2NO4EN300-199091(3RS)-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid(RS-Of9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid(RS-Ofloxacin Carboxylic Acid)

データベース識別子

CAS: 82419-35-0
PubChem CID: 534278
ChEMBL: CHEMBL216686
UNII: 501W86694Z
EC Number: 700-160-8
Nikkaji: J1.585.705F

物性

構造計算による物性

XLogP: 2.1
極性表面積: 66.8 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 20
形式電荷: 0
複雑度: 495

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.