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Odiparcil

CAT: 0013-GTR19203602-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203602-01Size:2 mg
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Description
Odiparcil is an orally bioavailable beta-d-thioxyloside analog that acts as an indirect thrombin inhibitor by activating heparin cofactor II (antithrombin II) . Its antithrombotic efficacy with a potentially reduced bleeding risk has been investigated in preclinical models of venous thrombosis.
CAS Number
137215-12-4
Field of Research
Protein Biochemistry
Smiles
Cc1cc (=O) oc2cc (OC3SC[C@@H] (O) [C@H] (O) [C@H]3O) ccc12
Molecular Formula
C15H16O6S
Molecular Weight
324.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Odiparcil

orally active beta-D-xyloside for the treatment of venous thrombosis in a rat model

CAS Number137215-12-4
PubChem CID216385
IUPAC Name4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
Molecular FormulaC15H16O6S
Molecular Weight324.4
XLogP0.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity467
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H](CS3)O)O)O
InChI
InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1
InChIKey
JRHNIQQUVJOPQC-AQNFWKISSA-N
Chemical Structure
2D Structure
2D structure of Odiparcil
CAS: 137215-12-4
CID: 216385
Formula: C15H16O6S
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass324.06675940
Monoisotopic Mass324.06675940
Topological Polar Surface Area122 Ų
Heavy Atom Count22
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BO167288-01Odiparcil
A21584-1Odiparcil 1mg
A21584-10Odiparcil 10mg
A21584-50Odiparcil 50mg
A21584-25Odiparcil 25mg
A21584-100Odiparcil 100mg
A21584-5Odiparcil 5mg
A21584-2Odiparcil 2mg

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