Otamixaban
methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate
Molecular Identity
Otamixaban
methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate
PubChem CID: 5496659
2D Structure
Properties
C25H26N4O4
Molecular Formula
446.50
Molecular Weight
g/mol
446.1954
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
131
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
671
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(CC1=CC(=CC=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-]Isomeric SMILES
SMILES: C[C@H]([C@@H](CC1=CC(=CC=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-]Synonyms(20)
Otamixaban193153-04-7FXV-673XRP0673FXV673XRP-0673RPR130673RPR-130673S173RED00LDTXSID40172917methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoateotamixabanummethyl (2R,3R)-2-((3-carbamimidoylphenyl)methyl)-3-((4-(1-oxidopyridin-1-ium-4-yl)benzoyl)amino)butanoateRefChem:168704DTXCID1095408
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Otamixaban
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