Letaxaban
1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-diazinan-2-one
Molecular Identity
Letaxaban
1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID: 11641515
2D Structure
Properties
C22H26ClN3O5S
Molecular Formula
480.00
Molecular Weight
g/mol
479.1282
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
115
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
796
Complexity
SMILES
Canonical SMILES
SMILES: C1CNC(=O)N(C1)C2CCN(CC2)C(=O)C(CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)OIsomeric SMILES
SMILES: C1CNC(=O)N(C1)C2CCN(CC2)C(=O)[C@@H](CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)OSynonyms(20)
Letaxaban870262-90-1TAK-442TAK 442Letaxaban [USAN]Letaxaban [USAN:INN]Y3WB03966WLETAXABAN [INN]LETAXABAN [WHO-DD]1-{1-[(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl]piperidin-4-yl}-1,3-diazinan-2-one2(1H)-PYRIMIDINONE, 1-(1-((2S)-3-((6-CHLORO-2-NAPHTHALENYL)SULFONYL)-2-HYDROXY-1-OXOPROPYL)-4-PIPERIDINYL)TETRAHYDRO-PIPERIDINE, 1-((2S)-3-((6-CHLORO-2-NAPHTHALENYL)SULFONYL)-2-HYDROXY-1-OXOPROPYL)-4-(TETRAHYDRO-2-OXO-1(2H)-PYRIMIDINYL)-letaxabanum1-(1-((2S)-3-((6-chloronaphthalen-2-yl)sulfonyl)-2-hydroxypropanoyl)piperidin-4-yl)-1,3-diazinan-2-oneRefChem:798968
Data from PubChem (NCBI)
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