Lixumistat acetate
acetic acid;N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
Molecular Identity
Lixumistat acetate
acetic acid;N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
PubChem CID: 154573779
2D Structure
Properties
C15H20F3N5O3
Molecular Formula
375.35
Molecular Weight
g/mol
375.1518
Exact Mass
Da
127
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
455
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)O.C1CCN(C1)C(=NC(=NC2=CC=C(C=C2)OC(F)(F)F)N)NIsomeric SMILES
SMILES: CC(=O)O.C1CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)OC(F)(F)F)N)/NSynonyms(20)
Lixumistat acetateHL271 acetate1422365-94-3IM-156HL156AHL-156A8MS59W493CIM156RefChem:924844UNII-8MS59W493CIM-156 (acetate)2043654-54-0N-(Imino((4-(trifluoromethoxy)phenyl)amino)methyl)-1-pyrrolidinecarboximidamide, acetateacetic acid;N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide1-Pyrrolidinecarboximidamide, N-(imino((4-(trifluoromethoxy)phenyl)amino)methyl)-, acetate (1:1)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Lixumistat acetate
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