514-53-4

Basic information

• Product Name: Isochlortetracyclinehydrochloride
• Synonyms: canbeusedassecondarystandard,HCl;2-Naphthalenecarboxamide, 6-(7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-benzofuranyl)-4-(dimethylamino)-1,4,4A,5,6,7,8,8A-octahydro-3,8A-dihydroxy-1,8-dioxo-, (4S-(4-alpha,4A-alpha,6-beta(R*),8A-alpha))-;7-Chloroisotetracycline;Isoaureomycin;(4S,4aS,6S,8aS)-6-[(1S)-7-Chloro-1,3-dihydro-4-hydroxy-1-Methyl-3-oxo-1-isobenzofuranyl]-4-(diMethylaMino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-2-naphthalenecarboxaMide
• CAS NO: 514-53-4
• Molecular Formula: C₂₂H₂₃ClN₂O₈
• Molecular Weight: 515.344
• Product Categories: Aromatics;Heterocycles;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
• Mol File: 514-53-4.mol
• Article Data: 0

Chemical Properties

• Melting Point: 231-236°C (dec.)
• Boiling Point: 743.1°Cat760mmHg
• Flash Point: 403.2°C
• Appearance: /
• Density: 1.61g/cm³
• Vapor Pressure: 3.42E-23mmHg at 25°C
• Refractive Index: 1.689
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• PKA: 4.50±1.00(Predicted)
• CAS DataBase Reference: Isochlortetracyclinehydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: Isochlortetracyclinehydrochloride(514-53-4)
• EPA Substance Registry System: Isochlortetracyclinehydrochloride(514-53-4)

Safety Data

• Hazardous Substances Data: 514-53-4(Hazardous Substances Data)

Usage

Description

Isochlortetracyclinehydrochloride, also known as an inactive metabolite of Chlortetracycline (CTC), is a pale yellow solid with chemical properties that make it a contaminant of emerging concern (CECs). It is derived from the hydrochloride salt of the antibiotic chlortetracycline, which has been widely used in the medical and veterinary fields.

Uses

Used in Environmental Monitoring:
Isochlortetracyclinehydrochloride is used as a monitoring agent for [detecting the presence of emerging contaminants] in [water and soil samples]. Its presence indicates potential contamination from antibiotic residues, which can have adverse effects on the environment and human health.
Used in Pharmaceutical Research:
Isochlortetracyclinehydrochloride is used as a research compound for [studying the effects of antibiotic residues on bacterial resistance] and [developing methods to mitigate their environmental impact]. This application helps in understanding the behavior of such contaminants and finding ways to reduce their presence in the environment.
Used in Veterinary Medicine:
Isochlortetracyclinehydrochloride is used as a reference compound for [assessing the effectiveness of alternative treatments] in [veterinary medicine]. By comparing the effects of alternative treatments to the known properties of Isochlortetracyclinehydrochloride, researchers can evaluate the potential benefits and drawbacks of new therapies.
Used in Wastewater Treatment:
Isochlortetracyclinehydrochloride is used as a target compound for [developing advanced wastewater treatment processes] to [reduce the release of antibiotic residues into the environment]. This application aims to improve the efficiency of wastewater treatment systems in removing contaminants and protecting the environment from their harmful effects.

InChI:InChI=1/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,30,32H,6-7,24H2,1-3H3/b19-14-/t8-,9-,16-,21-,22-/m0/s1

Upstream product

• 57-62-5 Chlortetracycline 

Downstream Products

• 3811-34-5 (S)-4-((1S)-4-carbamoyl-2t-dimethylamino-3,6ξ-dihydroxy-5-oxo-cyclohex3-en-r-yl)-3-((S)-7-chloro-4-hydroxy-1-methyl-3-oxo-phthalan-1-yl)-butyric acid