Miloxacin

Basic Info

FADB-China IDC0283
Substance NameQuinolones
Substance Chinese Name喹诺酮类
Molecular NameMiloxacin
Molecular Chinese Name甲氧恶喹酸
2D StructureNo image
CAS Number37065-29-5
PubChem CID37614
FormulaC12H9NO6
IUPAC Name5-methoxy-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
InChI KeyABQYZRZVRIPTPI-UHFFFAOYSA-N
InChIInChI=1S/C12H9NO6/c1-17-13-4-7(12(15)16)11(14)6-2-9-10(3-8(6)13)19-5-18-9/h2-4H,5H2,1H3,(H,15,16)
Canonical SMILES

CON1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O

Isomeric SMILES

CON1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O

CFM-ID 3.0URL Link
Related linksDining
Addition PurposesSterilization, Antiseptic
Molecular Synonyms
        
            Miloxacin
        
            37065-29-5
        
            Miloxacin [INN]
        
            Antibiotic AB 206
        
            Miloxacinum [INN-Latin]
        
            Miloxacino [INN-Spanish]
        
            UNII-VM4W7043SN
        
            AB 206
        
            BRN 0553059
        
            Miloxacine [INN-French]
Data UploaderMinQing Cai
Update DateAug 02, 2019 13:57

Properties

Property NameProperty Value
Molecular Weight263.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Complexity448
Monoisotopic Mass263.04298701
Exact Mass263.04298701
XLogP1.8
Formal Charge0
Heavy Atom Count19
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.8724
Human Intestinal AbsorptionHIA+0.9916
Caco-2 PermeabilityCaco2+0.5421
P-glycoprotein SubstrateNon-substrate0.7165
P-glycoprotein InhibitorNon-inhibitor0.7728
Non-inhibitor0.7382
Renal Organic Cation TransporterNon-inhibitor0.8100
Distribution
Subcellular localizationMitochondria0.5527
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8022
CYP450 2D6 SubstrateNon-substrate0.8217
CYP450 3A4 SubstrateSubstrate0.5499
CYP450 1A2 InhibitorNon-inhibitor0.5083
CYP450 2C9 InhibitorNon-inhibitor0.8013
CYP450 2D6 InhibitorNon-inhibitor0.8609
CYP450 2C19 InhibitorNon-inhibitor0.6959
CYP450 3A4 InhibitorNon-inhibitor0.5560
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.5839
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9680
Non-inhibitor0.9277
AMES ToxicityAMES toxic0.5900
CarcinogensNon-carcinogens0.9145
Fish ToxicityHigh FHMT0.9734
Tetrahymena Pyriformis ToxicityHigh TPT0.9492
Honey Bee ToxicityLow HBT0.5652
BiodegradationReady biodegradable0.8754
Acute Oral ToxicityIII0.6961
Carcinogenicity (Three-class)Non-required0.4175

ADMET -- Regression

Model Value Unit
Aqueous solubility-2.9928LogS
Caco-2 Permeability1.2196LogPapp, cm/s
Rat Acute Toxicity2.4599LD50, mol/kg
Fish Toxicity0.8443pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.5695pIGC50, ug/L

Related Foods

FADB-China ID F0087
Food Image No Pictures
Food Name Spicy Hot Pot
Food Chinese Name 麻辣烫类食品
Food Type Processed food
References List of non-edible substances that may be illegally added in food (fourth batch)

References

TitleDOI/PubMed/ISSN
List of non-edible substances that may be illegally added in food (fourth batch)