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Elarofiban

CAT: 0931-T27250-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T27250-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
198958-88-2
Target
Integrin
Related Pathways
Cytoskeletal Signaling
Purity
0.9994
Bioactivity
Elarofiban (RWJ-53308) is a novel and orally active GPIIb/IIIa antagonist.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19219465-01Elarofiban TFA
HY-10315A-01Elarofiban (diTFA)

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