Abexinostat tosylate
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;4-methylbenzenesulfonic acid
Molecular Identity
Abexinostat tosylate
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;4-methylbenzenesulfonic acid
PubChem CID: 77461142
2D Structure
Properties
C28H31N3O8S
Molecular Formula
569.60
Molecular Weight
g/mol
569.1832
Exact Mass
Da
167
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
757
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NOIsomeric SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NOSynonyms(7)
abexinostat tosylateAOH3JC92C0UNII-AOH3JC92C01622385-42-52-Benzofurancarboxamide, 3-((dimethylamino)methyl)-N-(2-(4-((hydroxyamino)carbonyl)phenoxy)ethyl)-, 4-methylbenzenesulfonate (1:1)SCHEMBL15992078SCHEMBL29544232
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Abexinostat tosylate
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