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Sarpogrelate hydrochloride

CAT: 0127-BUP13256-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13256-01Size:5 mg
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CAS Number
135159-51-2
Synonyms
MCI-9042
Purity
=98%
Smiles
Cl.COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(O)=O)c1

Chemical Information

Sarpogrelate Hydrochloride

Sarpogrelate hydrochloride is a stilbenoid.

CAS Number135159-51-2
PubChem CID444005
IUPAC Name4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride
Molecular FormulaC24H32ClNO6
Molecular Weight466.0
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count32
Formal Charge0
Complexity540
SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O.Cl
InChI
InChI=1S/C24H31NO6.ClH/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);1H
InChIKey
POQBIDFFYCYHOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sarpogrelate Hydrochloride
CAS: 135159-51-2
CID: 444005
Formula: C24H32ClNO6
MW: 466.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass465.1918154
Monoisotopic Mass465.1918154
Topological Polar Surface Area85.3 Ų
Heavy Atom Count32
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 Count2
Compound Is CanonicalizedYes

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