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Gantofiban

CAT: 1410-M36175-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M36175-02Size:5 mg
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Description
Gantofiban is a glycoprotein IIb/IIIa (GP IIb/IIIa) antagonist used in the treatment of cardiovascular disease and may be used to study thrombosis.
CAS Number
183547-57-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
447.48
Molecular Formula
C21H29N5O6
Notes
Research use only, not for human use.
Receptor
Integrin

Chemical Information

Gantofiban

Gantofiban is a small molecule drug. The usage of the INN stem '-fiban' in the name indicates that Gantofiban is a fibrinogen receptor antagonist (glycoprotein IIb/IIIa receptor antagonist). Gantofiban has a monoisotopic molecular weight of 447.21 Da.

CAS Number183547-57-1
PubChem CID9824864
IUPAC Nameethyl 2-[4-[[(5R)-3-[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
Molecular FormulaC21H29N5O6
Molecular Weight447.5
XLogP1.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity701
SMILES
CCOC(=O)CN1CCN(CC1)C[C@@H]2CN(C(=O)O2)C3=CC=C(C=C3)/C(=N/C(=O)OC)/N
InChI
InChI=1S/C21H29N5O6/c1-3-31-18(27)14-25-10-8-24(9-11-25)12-17-13-26(21(29)32-17)16-6-4-15(5-7-16)19(22)23-20(28)30-2/h4-7,17H,3,8-14H2,1-2H3,(H2,22,23,28)/t17-/m1/s1
InChIKey
YNBHAPKHWDNTMZ-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Gantofiban
CAS: 183547-57-1
CID: 9824864
Formula: C21H29N5O6
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass447.21178366
Monoisotopic Mass447.21178366
Topological Polar Surface Area127 Ų
Heavy Atom Count32
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T68078-01Gantofiban

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