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Lamifiban trifluoroacetate

CAT: 0931-T25608-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25608-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144412-50-0
Target
Others, Integrin
Related Pathways
Others, Cytoskeletal Signaling
Bioactivity
Lamifiban trifluoroacetate is an antagonist of the nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) .
Smiles
OC(=O)C(F)(F)F.NC(=N)c1ccc(cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)OCC(O)=O
Molecular Formula
C26H29F3N4O8
Molecular Weight
582.533
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lamifiban trifluoroacetate
CAS Number144412-50-0
PubChem CID72710796
IUPAC Name2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC26H29F3N4O8
Molecular Weight582.5
Topological Polar Surface Area203
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity806
SMILES
C1CN(CCC1OCC(=O)O)C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C3=CC=C(C=C3)C(=N)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C24H28N4O6.C2HF3O2/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31;3-2(4,5)1(6)7/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31);(H,6,7)/t20-;/m0./s1
InChIKey
CUEOPXPXIBCIAX-BDQAORGHSA-N
Chemical Structure
2D Structure
2D structure of Lamifiban trifluoroacetate
CAS: 144412-50-0
CID: 72710796
Formula: C26H29F3N4O8
MW: 582.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass582.19374838
Monoisotopic Mass582.19374838
Topological Polar Surface Area203 Ų
Heavy Atom Count41
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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