Eprotirome
3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-3-oxopropanoic acid
Molecular Identity
Eprotirome
3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-3-oxopropanoic acid
PubChem CID: 10299876
2D Structure
Properties
C18H17Br2NO5
Molecular Formula
487.10
Molecular Weight
g/mol
486.9453
Exact Mass
Da
5
XLogP
Above Lipinski threshold
95.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
492
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CC(=O)O)Br)OIsomeric SMILES
SMILES: CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CC(=O)O)Br)OSynonyms(20)
Eprotirome355129-15-6KB-2115KB2115eprotiromoBms-356384958AQ7B6R1DTXSID00189021eprotiromumRefChem:137408DTXCID301115122-((3,5-dibromo-4-(4-hydroxy-3-(propan-2-yl)phenoxy)phenyl)carbamoyl)acetic acidEprotirome [INN]3-((3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenyl)amino)-3-oxopropanoic acidEprotirome (KB2115)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Eprotirome
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