Molecular Identity
Tirofiban
(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
PubChem CID: 60947
Tirofiban is a member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group. It has a role as a fibrin modulating drug, an anticoagulant and a platelet glycoprotein-IIb/IIIa receptor antagonist. It is a member of piperidines, a L-tyrosine derivative and a sulfonamide.
2D Structure
Properties
C22H36N2O5S
Molecular Formula
440.60
Molecular Weight
g/mol
440.2345
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
579
Complexity
SMILES
Canonical SMILES
SMILES: CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)OIsomeric SMILES
SMILES: CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)OSynonyms(20)
tirofiban144494-65-5AgrastattirofibanumN-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acidGGX234SI5HMK-383CHEBI:9605L-700462DTXSID20162730(2S)-2-(butane-1-sulfonamido)-3-{4-[4-(piperidin-4-yl)butoxy]phenyl}propanoic acid(2S)-2-(butane-1-sulfonamido)-3-(4-(4-(piperidin-4-yl)butoxy)phenyl)propanoic acid(2S)-2-(butylsulfonylamino)-3-(4-(4-piperidin-4-ylbutoxy)phenyl)propanoic acidRefChem:57052
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tirofiban
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