4-Epiminocycline
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4-Epiminocycline
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CAS No:
43168-51-0
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Formula:
C23H27N3O7
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Chemical Name:
4-Epiminocycline
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Synonyms:
Epiminocycline;[4R-(4a,4a,5a,12a)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydro-1,11-dioxo-2-naphthacenecarboxamide;4-Epi Minocycline (approximately 60% pure, contains unidentified salts);4-Epi Minocycline (>80%, contains unidentified salts);[4R-(4α,4aβ,5aβ,12aβ)]-4,7-Bis(diMethylaMino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydro-1,11-dioxo-2-naphthacenecarboxaMide;Minocycline EP IMpurity A;4-Epiminocycline;[4R-(4a,4ab,5ab,12ab)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydro-1,11-dioxo-2-naphthacenecarboxamide
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CAS No:
Characteristics
164.63000
-0.65
1.6±0.1 g/cm3
>196°C (dec)
803.3±65.0 °C at 760 mmHg
439.6±34.3 °C
1.718
Amber Vial, -20°C Freezer, Under Inert Atmosphere
Computed Properties
Molecular Weight:457.5
XLogP3:-0.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:457.18490021
Monoisotopic Mass:457.18490021
Topological Polar Surface Area:165
Heavy Atom Count:33
Complexity:971
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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