Mylotarg
S-[(2R,3S,4S,6S)-6-[[(2R,3S,4R,5R,6R)-5-[(2S,4S,5R)-5-[acetyl(ethyl)amino]-4-methoxy-5-methyloxan-2-yl]oxy-6-[[(2S,9R)-13-[2-[[4-[2-[1-[4-(4-amino-4-oxobutoxy)phenyl]ethylidene]hydrazinyl]-2-methyl-4-oxobutan-2-yl]disulfanyl]ethylidene]-9-hydroxy-12-(methoxycarbonylamino)-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-4-hydroxy-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-hydroxy-5-iodo-2-methoxy-6-methylbenzenecarbothioate
Molecular Identity
Mylotarg
S-[(2R,3S,4S,6S)-6-[[(2R,3S,4R,5R,6R)-5-[(2S,4S,5R)-5-[acetyl(ethyl)amino]-4-methoxy-5-methyloxan-2-yl]oxy-6-[[(2S,9R)-13-[2-[[4-[2-[1-[4-(4-amino-4-oxobutoxy)phenyl]ethylidene]hydrazinyl]-2-methyl-4-oxobutan-2-yl]disulfanyl]ethylidene]-9-hydroxy-12-(methoxycarbonylamino)-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-4-hydroxy-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-hydroxy-5-iodo-2-methoxy-6-methylbenzenecarbothioate
PubChem CID: 168322462
2D Structure
Properties
C73H97IN6O25S3
Molecular Formula
1681.70
Molecular Weight
g/mol
1680.4710
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
497
TPSA
May have limited oral absorption
10
H-Bond Donors
30
H-Bond Acceptors
3410
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(2)
MylotargIUPYOZANCCCTSM-HATVIOBMSA-N
Data from PubChem (NCBI)
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