MetaADEDB 2.0 @ LMMD
4'-deoxy-4'-iododoxorubicin
(PDQGEKGUTOTUNV-TZSSRYMLSA-N)
Structure
SMILES
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@@H]([C@@H](O2)C)I)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
Molecular Formula:
C27H28INO10
Molecular Weight:
653.416
Log P:
2.1443
Hydrogen Bond Acceptor:
11
Hydrogen Bond Donor:
5
TPSA:
185.84
CAS Number(s):
83997-75-5
Synonym(s)
1.
4'-deoxy-4'-iododoxorubicin
2.
4'-deoxy-4'-IDX
3.
4'-iodo-4'-deoxydoxorubicin
4.
4'-iododeoxyrubicin
5.
4'-iododoxorubicin
6.
FCE 21954
7.
FCE-21954
8.
iododoxorubicin
External Link(s)
MeSHC053044
PubChem Compound108161
ChEBI47897
Adverse Drug Event(s)
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