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Octimibate

CAT: 0931-T24567-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T24567-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89838-96-0
Target
Prostaglandin Receptor, Others
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Others
Purity
0.9986
Bioactivity
Octimibate (Octimibato) is a non-prostaglandin platelet aggregation inhibitor and cyclic prostaglandin agonist.Octimibate is used in the treatment of cardiovascular disease and can be used to study atherosclerosis and thrombosis.
Smiles
O(CCCCCCCC(O)=O)C=1N(C(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Molecular Formula
C29H30N2O3
Molecular Weight
454.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Octimibate

Octimibate is a small molecule drug. Octimibate has a monoisotopic molecular weight of 454.23 Da.

CAS Number89838-96-0
PubChem CID65676
IUPAC Name8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid
Molecular FormulaC29H30N2O3
Molecular Weight454.6
XLogP7
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity582
SMILES
C1=CC=C(C=C1)C2=C(N(C(=N2)OCCCCCCCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H30N2O3/c32-26(33)21-13-2-1-3-14-22-34-29-30-27(23-15-7-4-8-16-23)28(24-17-9-5-10-18-24)31(29)25-19-11-6-12-20-25/h4-12,15-20H,1-3,13-14,21-22H2,(H,32,33)
InChIKey
JJNUVQIGQRFZAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octimibate
CAS: 89838-96-0
CID: 65676
Formula: C29H30N2O3
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass454.22564282
Monoisotopic Mass454.22564282
Topological Polar Surface Area64.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5774319Octimibate

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