Ofloxacin Q acid - CAS 82419-35-0
Catalog: |
BB036819 |
Product Name: |
Ofloxacin Q acid |
CAS: |
82419-35-0 |
Synonyms: |
9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid; Oxygen-fluorine acid |
IUPAC Name: | 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 |
Description: | An impurity of Ofloxacin, which is a synthetic broad-spectrum antimicrobial agent. |
Molecular Weight: | 281.21 |
Molecular Formula: | C13H9F2NO4 |
Canonical SMILES: | CC1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O |
InChI: | InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19) |
InChI Key: | NVKWWNNJFKZNJO-UHFFFAOYSA-N |
Boiling Point: | 459.2 °C at 760 mmHg |
Melting Point: | 320-322 °C (lit.) |
Purity: | 95% |
Density: | 1.61 g/cm3 |
Appearance: | Grey-yellow powder |
Storage: | -20 °C Freezer |
MDL: | MFCD00226106 |
LogP: | 1.93130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112011199-A | Special super-hydrophobic coating for air cooler and preparation method thereof | 20200901 |
CN-111150734-A | Compositions containing mixtures of quinolinone derivatives and uses thereof | 20200108 |
CN-112641773-A | Composition containing heterocyclic compound and use thereof | 20200108 |
CN-211451922-U | Condenser is used in oxygen fluorine carboxylic acid production | 20191214 |
CN-211488160-U | Centrifuge is used in production of levofloxacin carboxylic acid | 20191214 |
PMID | Publication Date | Title | Journal |
17064064 | 20061102 | Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2 | Journal of medicinal chemistry |
Complexity: | 495 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.04996409 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.04996409 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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