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Sarpogrelate

CAT: 0013-GTR19186230-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186230-02Size:50 mg
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Description
Sarpogrelate (MCI-9042) is an orally active, selective 5-HT2 receptor antagonist. It inhibits platelet aggregation and is used in research on thrombosis and vascular diseases, such as Buerger's disease, with applications in both in vitro and in vivo experimental models.
CAS Number
125926-17-2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (CC (OC (CCC (O) =O) =O) CN (C) C) C1=C (CCC2=CC (OC) =CC=C2) C=CC=C1
Molecular Formula
C24H31NO6
Molecular Weight
429.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sarpogrelate

Sarpogrelate is a hemisuccinate and a stilbenoid.

CAS Number125926-17-2
PubChem CID5160
IUPAC Name4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
Molecular FormulaC24H31NO6
Molecular Weight429.5
XLogP1.2
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count31
Formal Charge0
Complexity540
SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O
InChI
InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
InChIKey
FFYNAVGJSYHHFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sarpogrelate
CAS: 125926-17-2
CID: 5160
Formula: C24H31NO6
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass429.21513771
Monoisotopic Mass429.21513771
Topological Polar Surface Area85.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-10563Sarpogrelate
319608Sarpogrelate HCl
020844Sarpogrelate Hydrochloride
HY-10564-01Sarpogrelate (hydrochloride)
RM-S680121-01Sarpogrelate-D3

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