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

Chemical Properties

Pale Yellow Solid

Uses

Different sources of media describe the Uses of 514-53-4 differently. You can refer to the following data:
1. An inactive metabolite of Chlortetracycline (CTC). This compound is a contaminant of emerging concern (CECs).
2. An inactive metabolite of Chlortetracycline (CTC).

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