Tegatrabetan
N-[3,6-bis[[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl]-10-nitrosoanthracen-9-yl]hydroxylamine
Molecular Identity
Tegatrabetan
N-[3,6-bis[[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl]-10-nitrosoanthracen-9-yl]hydroxylamine
PubChem CID: 46212391
2D Structure
Properties
C28H36N4O6S2
Molecular Formula
588.70
Molecular Weight
g/mol
588.2076
Exact Mass
Da
5
XLogP
Above Lipinski threshold
153
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Tegatrabetan1227637-23-1BC2059TegavivintTegavivint [INN]BC-205918AP231HUPCHEMBL3601411N-[3,6-bis[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl]-10-nitrosoanthracen-9-yl]hydroxylaminerel-2,7-Bis(((3R,5S)-3,5-dimethylpiperidin-1-yl)sulfonyl)anthracene-9,10-dione dioxime9,10-Anthracenedione, 2,7-bis(((3R,5S)-3,5-dimethyl-1-piperidinyl)sulfonyl)-, 9,10-dioxime, rel-Tegatrabetan?TEGAVIVINT [WHO-DD]UNII-18AP231HUPorb1301626
Data from PubChem (NCBI)
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Drug Network
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