Iofolastat (123I)
(2S)-2-[[(1S)-1-carboxy-5-[(4-iodophenyl)methylamino]pentyl]carbamoylamino]pentanedioic acid
Molecular Identity
Iofolastat (123I)
(2S)-2-[[(1S)-1-carboxy-5-[(4-iodophenyl)methylamino]pentyl]carbamoylamino]pentanedioic acid
PubChem CID: 25194767
2D Structure
Properties
C19H26IN3O7
Molecular Formula
531.30
Molecular Weight
g/mol
531.0827
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
165
TPSA
May have limited oral absorption
6
H-Bond Donors
8
H-Bond Acceptors
582
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1CNCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)IIsomeric SMILES
SMILES: C1=CC(=CC=C1CNCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)[123I]Synonyms(20)
IOFOLASTAT I 123Iofolastat I-123Iofolastat (123I)949575-24-0Iofolastat (123-I)Iofolastat ((Sup 123)I)Iofolastat (123 I)AQF0A29T2VIofolastat I 123 [USAN]123-i-mip-1072MIP1072L-Glutamic acid, N-((((1S)-1-carboxy-5-(((4-(iodo-(Sup 123)i)phenyl)methyl)amino)pentyl)amino)carbonyl)-L-Glutamic acid, N-((((1S)-1-carboxy-5-(((4-(iodo-123i)phenyl)methyl)amino)pentyl)amino)carbonyl)-N-(((1S)-1-carboxy-5-(((4-((Sup 123)i)iodophenyl)methyl)amino)pentyl)carbamoyl)-L-glutamic acidIofolastat I 123 (USAN)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iofolastat (123I)
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