Molibresib Besylate
benzenesulfonic acid;2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
Molecular Identity
Molibresib Besylate
benzenesulfonic acid;2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
PubChem CID: 133082230
2D Structure
Properties
C28H28ClN5O5S
Molecular Formula
582.10
Molecular Weight
g/mol
581.1500
Exact Mass
Da
144
TPSA
May have limited oral absorption
2
H-Bond Donors
8
H-Bond Acceptors
823
Complexity
SMILES
Canonical SMILES
SMILES: CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C.C1=CC=C(C=C1)S(=O)(=O)OIsomeric SMILES
SMILES: CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C.C1=CC=C(C=C1)S(=O)(=O)OSynonyms(20)
Molibresib besylate1895049-20-3GSK525762CK04D7I4BCHGSK-525762C2-((4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-4-yl)-N-ethylacetamide monobenzenesulfonate salt2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide monobenzenesulfonate saltRefChem:159336Molibresib (besylate)UNII-K04D7I4BCHbenzenesulfonic acid;2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamideMolibresib besylate (USAN)MOLIBRESIB BESYLATE [USAN]I-BET-762 besylateC28H28ClN5O5S
Data from PubChem (NCBI)
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