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Sibrafiban

CAT: 0013-GTR19196498-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196498-02Size:50 mg
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Description
Sibrafiban
CAS Number
172927-65-0
Field of Research
Signal Transduction
Smiles
C (C (NC (=O) C1=CC=C (C (=NO) N) C=C1) C) (=O) N2CCC (OCC (OCC) =O) CC2
Molecular Formula
C20H28N4O6
Molecular Weight
420.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acetic acid, ((1-((2S)-2-((4-((hydroxyamino)iminomethyl)benzoyl)amino)-1-oxopropyl)-4-piperidinyl)oxy)-, ethyl ester

Sibrafiban is a small molecule drug. The usage of the INN stem '-fiban' in the name indicates that Sibrafiban is a fibrinogen receptor antagonist (glycoprotein IIb/IIIa receptor antagonist). Sibrafiban has a monoisotopic molecular weight of 420.2 Da.

CAS Number172927-65-0
PubChem CID9577986
IUPAC Nameethyl 2-[1-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetate
Molecular FormulaC20H28N4O6
Molecular Weight420.5
XLogP1
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity625
SMILES
CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)C2=CC=C(C=C2)/C(=N/O)/N
InChI
InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/t13-/m0/s1
InChIKey
WBNUCLPUOSXSNJ-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Acetic acid, ((1-((2S)-2-((4-((hydroxyamino)iminomethyl)benzoyl)amino)-1-oxopropyl)-4-piperidinyl)oxy)-, ethyl ester
CAS: 172927-65-0
CID: 9577986
Formula: C20H28N4O6
MW: 420.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass420.20088463
Monoisotopic Mass420.20088463
Topological Polar Surface Area144 Ų
Heavy Atom Count30
Formal Charge0
Complexity625
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
BA4602-10Sibrafiban
HY-10309RSibrafiban (Standard)

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