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

HCID 83908
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
118803-81-9
Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.O=C(O)c1cccnc1
InChIKey
WRIFLTAYLRDENF-UHFFFAOYSA-N
Molecular formula
C22H23FN4O5
Average molar mass
442.4 g/mol
Monoisotopic mass
442.16524806

Overview

structure given in first source

Names & identifiers

Preferred name
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
English name
QUINOLINE-3-CARBOXYLIC ACID
Molecular formula
C10H7NO2
Molecular weight
173.17

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area
123 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
32

Physicochemical properties

Melting point
277 · 277-280 °C(lit.)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
DMSO (Slightly), Water (Slightly)
form
White to yellow crystalline solid.
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

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

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

Upstream & downstream products

Suppliers100 total

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]

Related reactions

1 records
New reaction record

Compound notes

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