Triclosan
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Category | Antibiotics |
Catalog number | BBF-05906 |
CAS | 3380-34-5 |
Molecular Weight | 289.5 |
Molecular Formula | C12H7Cl3O2 |
Online Inquiry
Description
Triclosan is a broad-spectrum antibacterial and antifungal agent added in consumer products such as toothpaste, soaps, detergents, etc.
Specification
Synonyms | Cloxifenolum; Irgasan |
IUPAC Name | 5-chloro-2-(2,4-dichlorophenoxy)phenol |
Canonical SMILES | C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl |
InChI | InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H |
InChI Key | XEFQLINVKFYRCS-UHFFFAOYSA-N |
Properties
Antibiotic Activity Spectrum | Bacteria; Fungi |
Melting Point | 55-57°C |
Toxicity
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Mechanism Of Toxicity | At in-use concentrations, triclosan acts as a biocide, with multiple cytoplasmic and membrane targets. At lower concentrations, however, triclosan appears bacteriostatic and is seen to target bacteria mainly by inhibiting fatty acid synthesis. Triclosan binds to bacterial enoyl-acyl carrier protein reductase enzyme (ENR), which is encoded by the gene FabI. This binding increases the enzyme's affinity for nicotinamide adenine dinucleotide (NAD+). This results in the formation of a stable ternary complex of ENR-NAD+-triclosan, which is unable to participate in fatty acid synthesis. Fatty acids are necessary for reproducing and building cell membranes. Humans do not have an ENR enzyme, and thus are not affected. |
Toxicity | LD50: 3700 mg/kg (Oral, Rat); LD50: 9300 mg/kg (Dermal, Rabbit). |
Reference Reading
Spectrum
Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Experimental Conditions
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C12H7Cl3O2
Molecular Weight (Monoisotopic Mass): 287.9512 Da
Molecular Weight (Avergae Mass): 289.542 Da
LC-MS/MS Spectrum - LC-ESI-QFT , negative
Experimental Conditions
Ionization Mode: negative
Predicted LC-MS/MS Spectrum - 10V, Positive
Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C12H7Cl3O2
Molecular Weight (Monoisotopic Mass): 287.9512 Da
Molecular Weight (Avergae Mass): 289.542 Da
Mass Spectrum (Electron Ionization)
13C NMR Spectrum
Experimental Conditions
Nucleus: 13C
Frequency: 100
Recommended Products
BBF-01732 | Mevastatin | Inquiry |
BBF-05817 | Astaxanthin | Inquiry |
BBF-03884 | Formononetin | Inquiry |
BBF-05843 | Bacitracin | Inquiry |
BBF-02800 | DB-2073 | Inquiry |
BBF-04655 | Exatecan Mesylate | Inquiry |
Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2