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514-53-4

514-53-4 Structure

514-53-4 Structure
IdentificationBack Directory
[Name]

Isochlortetracyclinehydrochloride
[CAS]

514-53-4
[Synonyms]

Isoaureomycin
7-Chloroisotetracycline
Aureomycin EP impurity G
Chlortetracycline EP Impurity G
canbeusedassecondarystandard,HCl
Isochlortetracyclinehydrochloride USP/EP/BP
(4S,4aS,6S,8aR)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-4-(dimethylamino)-1,8a-dihydroxy-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide
(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
2-Naphthalenecarboxamide, 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-, (4S,4aS,6S,8aS)-
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))-
[Molecular Formula]

C22H23ClN2O8.ClH
[MDL Number]

MFCD30720006
[MOL File]

514-53-4.mol
[Molecular Weight]

515.344
Chemical PropertiesBack Directory
[Melting point ]

231-236°C (dec.)
[Boiling point ]

814.7±65.0 °C(Predicted)
[density ]

1.61±0.1 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer, Under Inert Atmosphere
[solubility ]

DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
[form ]

A solid
[pka]

4.50±1.00(Predicted)
[Stability:]

Unstable in Basic Solution, Unstable In Basic Solution
[EPA Substance Registry System]

2-Naphthalenecarboxamide, 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-, (4S,4aS,6S,8aS)- (514-53-4)
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

An inactive metabolite of Chlortetracycline (CTC).
[Uses]

An inactive metabolite of Chlortetracycline (CTC). This compound is a contaminant of emerging concern (CECs).
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