Chelocardin
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Chelocardin
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CAS No:
29144-42-1
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Formula:
C22H21NO7
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Chemical Name:
Chelocardin
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Synonyms:
1,12(4H,5H)-Naphthacenedione,2-acetyl-4-amino-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-6,9-dimethyl-,(4R,4aS,12aS)-;Chelocardin;1,12(4H,5H)-Naphthacenedione,2-acetyl-4-amino-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-6,9-dimethyl-,[4R-(4α,4aβ,12aβ)]-;1,12(4H,5H)-Naphthacenedione,2-acetyl-4α-amino-4aβ,12a-dihydro-3,10,11,12aβ-tetrahydroxy-6,9-dimethyl-;(4R,4aS,12aS)-2-Acetyl-4-amino-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-6,9-dimethyl-1,12(4H,5H)-naphthacenedione;β-Chelocardin;Cetocycline;Tri-chelocardin
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CAS No:
Characteristics
158
2
1.0935 (rough estimate)
673.4ºC at 760mmHg
361.1ºC
1.749
4.72E-19mmHg at 25°C
Oral-Mouse LD50: 2500 mg/kg; Intravenous-Mouse LD50: 88 mg/kg
Thermal decomposition to emit toxic nitrogen oxide fumes
Computed Properties
Molecular Weight:411.4
XLogP3:2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:411.13180201
Monoisotopic Mass:411.13180201
Topological Polar Surface Area:158
Heavy Atom Count:30
Complexity:837
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes