Marinobufotoxin
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Marinobufotoxin
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CAS No:
30685-91-7
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Formula:
C38H56N4O9
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Chemical Name:
Marinobufotoxin
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Synonyms:
Bufa-20,22-dienolide,3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15-epoxy-5-hydroxy-,(3β,5β,15β)-;Marinobufotoxin;Bufa-20,22-dienolide,3-[[8-[[4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15-epoxy-5-hydroxy-,[3β(S),5β,15β]-;5β-Bufa-20,22-dienolide,14,15β-epoxy-3β,5-dihydroxy-,3-[7-[(1-carboxy-4-guanidinobutyl)carbamoyl]heptanoate];(3β,5β,15β)-3-[[8-[[(1S)-4-[(Aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15-epoxy-5-hydroxybufa-20,22-dienolide
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CAS No:
Computed Properties
Molecular Weight:712.9
XLogP3:2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:16
Exact Mass:712.40472938
Monoisotopic Mass:712.40472938
Topological Polar Surface Area:216
Heavy Atom Count:51
Complexity:1480
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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