Besigliptin tosylate
(3aR,6aS)-5-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N,N,5-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;4-methylbenzenesulfonic acid
Molecular Identity
Besigliptin tosylate
(3aR,6aS)-5-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N,N,5-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;4-methylbenzenesulfonic acid
PubChem CID: 91667592
2D Structure
Properties
C25H36FN5O5S
Molecular Formula
537.60
Molecular Weight
g/mol
537.2421
Exact Mass
Da
142
TPSA
May have limited oral absorption
2
H-Bond Donors
8
H-Bond Acceptors
823
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CC2CN(CC2C1)C(=O)N(C)C)NCC(=O)N3CC(CC3C#N)FIsomeric SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C[C@@H]2CN(C[C@@H]2C1)C(=O)N(C)C)NCC(=O)N3C[C@H](C[C@H]3C#N)FSynonyms(17)
Besigliptin tosylateSHR1178871177460-72-8SHR-11788706SMN21EQE(3aS,6aR)-5-((2-((2S,4S)-2-Cyano-4-fluoro-pyrrolidin-1-yl)-2-oxo-ethyl)amino)-N,N,5-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta(C)pyrrole-2-carboxamide; 4-methylbenzenesulfonic acidBesigliptin (tosylate)UNII-06SMN21EQEorb1701072CHEMBL4297430SCHEMBL30786454AKOS040747949CS-0255473T26777Q27896320
Data from PubChem (NCBI)
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Trials and conditions connected to Besigliptin tosylate
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