Molecular Identity
argatroban
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID: 92722
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid is a peptide.
2D Structure
Properties
C23H36N6O5S
Molecular Formula
508.60
Molecular Weight
g/mol
508.2468
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
189
TPSA
May have limited oral absorption
5
H-Bond Donors
8
H-Bond Acceptors
887
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
argatroban74863-84-6Argatroban anhydrousNovastanAcovaArgatrobanumMD-805ArgipidineMCI-9038Argatrobanum [Latin]GN-1600Argatroban In Sodium ChlorideOCY3U280Y3(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acidDK-7419
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to argatroban
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