MetaADEDB 2.0 @ LMMD
N-benzyladriamycin-14-valerate
(IUKSGXMOHXEUJY-YWVRLZQXSA-N)
Structure
SMILES
CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NCc3ccccc3)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
Molecular Formula:
C39H43NO12
Molecular Weight:
717.758
Log P:
3.9644
Hydrogen Bond Acceptor:
13
Hydrogen Bond Donor:
5
TPSA:
198.15
CAS Number(s):
98983-21-2
Synonym(s)
1.
N-benzyladriamycin-14-valerate
2.
AD 198
3.
AD-198
External Link(s)
MeSHC046808
PubChem Compound127201
Therapeutic Target DatabaseD04VPV
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Cardiomyopathies20668052CTD
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