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Isosorbide dinitrate

CAT: 0804-HY-B1409-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1409-04Size:25 mg
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Description
Isosorbide dinitrate (ISDN) is an NO donor that prevents LV remodeling and degradation of cardiac function following myocardial infarction (MI) [1].
CAS Number
87-33-2
Product Name Alternative
ISDN
UNSPSC
12352005
Hazard Statement
H302, H312, H319
Target
NO Synthase
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/isosorbide-dinitrate.html
Purity
99.89
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
[H][C@]12OC[C@H](O[N+]([O-])=O)[C@]1(OC[C@H]2O[N+]([O-])=O)[H]
Molecular Formula
C6H8N2O8
Molecular Weight
236.14
Precautions
H302, H312, H319
References & Citations
[1]Wang X , et al. Intratracheal administration of isosorbide dinitrate improves pulmonary artery pressure and ventricular remodeling in a rat model of heart failure following myocardial infarction. Exp Ther Med. 2017 Aug;14 (2) :1399-1408.|[2]Zhao X, et al. Cardioprotective Effect of Isosorbide Dinitrate Postconditioning Against Rat Myocardial Ischemia-Reperfusion Injury In Vivo. Med Sci Monit. 2019 Mar 2;25:1629-1636.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Isosorbide Dinitrate

Isosorbide dinitrate is a nitrate ester and a glucitol derivative. It has a role as a vasodilator agent and a nitric oxide donor.

CAS Number87-33-2
PubChem CID6883
IUPAC Name[(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular FormulaC6H8N2O8
Molecular Weight236.14
XLogP1.3
Topological Polar Surface Area129
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity268
SMILES
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]
InChI
InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey
MOYKHGMNXAOIAT-JGWLITMVSA-N
Chemical Structure
2D Structure
2D structure of Isosorbide Dinitrate
CAS: 87-33-2
CID: 6883
Formula: C6H8N2O8
MW: 236.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.14
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass236.02806522
Monoisotopic Mass236.02806522
Topological Polar Surface Area129 Ų
Heavy Atom Count16
Formal Charge0
Complexity268
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

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