1-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 11680737CAS 154093-72-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cn(C2CC2)c2c(O)c(F)c(F)cc2c1=O
InChIKey
NTWOKQCCNHKEIU-UHFFFAOYSA-N
Molecular formula
C13H9F2NO4
Average molar mass
281.21 g/mol
Monoisotopic mass
281.04996421

Names & identifiers

Preferred name
1-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC
1-cyclopropyl-6,7-difluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid
English name
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid
Molecular formula
C13H9F2NO4
Molecular weight
281.21

Names & synonyms

154093-72-81-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic AcidYQE3ANK2UIDifluorohydroxy compound [USP]DTXSID50470532DIFLUOROHYDROXY COMPOUND [USP IMPURITY]3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-Difluorohydroxy compound (USP)DIFLUOROHYDROXY COMPOUND (USP IMPURITY)RefChem:431951DTXCID80421350
Show more names
Gatifloxacin USP RC BMoxifloxacin Impurity 231-cyclopropyl-6,7-difluoroGatifloxacin USP IMpurity BDifluorohydroxy gatifloxacinGatifloxacin hydroxy acid impurityMoxifloxacin Difluoro Hydroxy ImpurityMoxifloxacin hydroxyquinoline impurities
895-837-9MFCD259735061-cyclopropyl-6,7-difluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid1-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacidDiketopiperazine; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-; 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic acid; 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid (8-Hydroxyquinolonic Acid)Mosisasin Impurity E2UNII-YQE3ANK2UIMoxifloxacin Impurity 81

Database identifiers

CAS
154093-72-8
PubChem CID
11680737
DTXSID
DTXSID50470532
UNII
YQE3ANK2UI
EC Number
895-837-9

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
77.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
20

Physicochemical properties

Melting point
271 oC · >271oC (dec.)
Boiling point
478.3 · 478.3±45.0 °C(Predicted)
Density
1.745 · 1.745±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly, Heated)
pka
5.75 · 5.75±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Applications

UsesMoxifloxacin (M745000) impurity.

Upstream & downstream products

Suppliers50 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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