Norfloxacin
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Basic Info
| FADB-China ID | C0285 |
| Substance Name | Quinolones |
| Substance Chinese Name | 喹诺酮类 |
| Molecular Name | Norfloxacin |
| Molecular Chinese Name | 诺氟沙星 |
| 2D Structure | |
| CAS Number | 70458-96-7 |
| PubChem CID | 4539 |
| Formula | C16H18FN3O3 |
| IUPAC Name | 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid |
| InChI Key | OGJPXUAPXNRGGI-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H18FN3O3/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/h7-9,18H,2-6H2,1H3,(H,22,23) |
| Canonical SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O |
| Isomeric SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O |
| CFM-ID 3.0 | URL Link |
| Related links | Dining |
| Addition Purposes | Sterilization, Antiseptic |
| Molecular Synonyms |
Norfloxacin
70458-96-7
Norfloxacine
Noroxin
Chibroxin
Baccidal
Sebercim
MK-366
Norfloxacinum
Norfloxacino
|
| Data Uploader | MinQing Cai |
| Update Date | Aug 02, 2019 14:06 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 319.33 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Complexity | 519 |
| Monoisotopic Mass | 319.13321962 |
| Exact Mass | 319.13321962 |
| XLogP | -1 |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB- | 0.9824 |
| Human Intestinal Absorption | HIA+ | 0.9916 |
| Caco-2 Permeability | Caco2- | 0.8683 |
| P-glycoprotein Substrate | Substrate | 0.8554 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.8490 |
| Non-inhibitor | 0.8657 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.7588 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.4392 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8301 |
| CYP450 2D6 Substrate | Non-substrate | 0.9116 |
| CYP450 3A4 Substrate | Non-substrate | 0.7558 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.9046 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9268 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9231 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9148 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.8988 |
| CYP Inhibitory Promiscuity | High CYP Inhibitory Promiscuity | 0.5702 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.7034 |
| Non-inhibitor | 0.5292 | |
| AMES Toxicity | AMES toxic | 0.9108 |
| Carcinogens | Non-carcinogens | 0.7923 |
| Fish Toxicity | High FHMT | 0.9968 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9289 |
| Honey Bee Toxicity | Low HBT | 0.8969 |
| Biodegradation | Not ready biodegradable | 1.0000 |
| Acute Oral Toxicity | III | 0.7846 |
| Carcinogenicity (Three-class) | Non-required | 0.6040 |
ADMET -- Regression
| Model | Value | Unit |
|---|---|---|
| Aqueous solubility | -3.6659 | LogS |
| Caco-2 Permeability | 0.7124 | LogPapp, cm/s |
| Rat Acute Toxicity | 1.8785 | LD50, mol/kg |
| Fish Toxicity | 1.3230 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.5348 | pIGC50, ug/L |
Related Foods
| FADB-China ID | F0087 |
| Food Image |  |
| 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) |