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Elarofiban

CAT: 0013-GTR19197699-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197699-02Size:5 mg
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Description
Elarofiban (RWJ-53308) is an orally bioavailable small molecule antagonist of the GPIIb/IIIa receptor. It has been utilized in research to investigate antiplatelet therapy, with studies demonstrating its activity in both in vitro platelet aggregation assays and in vivo models of thrombosis.
CAS Number
198958-88-2
Product Name Alternative
GPIIb/IIIa, Elarofiban, RWJ 53308, RWJ53308, RWJ-53308
Field of Research
Signal Transduction
Purity
98.76% (May vary between batches)
Solubility
DMSO:60 mg/mL (144.05 mM)
Smiles
[C@H] (NC (=O) [C@H]1CN (C (CCC2CCNCC2) =O) CCC1) (CC (O) =O) C=3C=CC=NC3
Molecular Formula
C22H32N4O4
Molecular Weight
416.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Elarofiban anhydrous

Elarofiban anhydrous is a small molecule drug. The usage of the INN stem '-fiban' in the name indicates that Elarofiban anhydrous is a fibrinogen receptor antagonist (glycoprotein IIb/IIIa receptor antagonist). Elarofiban anhydrous has a monoisotopic molecular weight of 416.24 Da.

CAS Number198958-88-2
PubChem CID216230
IUPAC Name(3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid
Molecular FormulaC22H32N4O4
Molecular Weight416.5
XLogP-2.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity594
SMILES
C1C[C@H](CN(C1)C(=O)CCC2CCNCC2)C(=O)N[C@@H](CC(=O)O)C3=CN=CC=C3
InChI
InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1
InChIKey
ABNXKGFLZFSILK-MOPGFXCFSA-N
Chemical Structure
2D Structure
2D structure of Elarofiban anhydrous
CAS: 198958-88-2
CID: 216230
Formula: C22H32N4O4
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP3-2.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass416.24235551
Monoisotopic Mass416.24235551
Topological Polar Surface Area112 Ų
Heavy Atom Count30
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP01026-01Elarofiban
BUP01025-01Elarofiban TFA
HY-10315A-01Elarofiban (diTFA)

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