MetaADEDB 2.0 @ LMMD
5-iminodaunorubicin
(BLLIIPIJZPKUEG-HPTNQIKVSA-N)
Structure
SMILES
COc1cccc2c1C(=N)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C
Molecular Formula:
C27H30N2O9
Molecular Weight:
526.535
Log P:
2.0141
Hydrogen Bond Acceptor:
11
Hydrogen Bond Donor:
6
TPSA:
192.62
CAS Number(s):
72983-78-9
Synonym(s)
1.
5-iminodaunorubicin
2.
5-iminodaunomycin
3.
5-iminodaunorubicin hydrochloride
4.
NSC-254681
External Link(s)
MeSHC018979
PubChem Compound72400
CHEMBLCHEMBL3304020
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1leukemia423181CTD
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