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Isosorbide-2-nitrate

CAT: 0013-GTR19258024-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258024-02Size:10 mg
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Description
Isosorbide-2-nitrate, a nitric oxide (NO) donor and active metabolite of isosorbide dinitrate, inhibits contraction in rabbit aortic strips induced by potassium chloride or angiotensin II and reduces vasopressin-induced coronary spasm in isolated rabbit hearts at concentrations of 100 and 1,000 μM.
CAS Number
16106-20-0
Field of Research
Pharmacology & Drug Discovery
Smiles
O (N (=O) =O) [C@@H]1[C@@]2 ([C@@] ([C@H] (O) CO2) (OC1) [H]) [H]
Molecular Formula
C6H9NO6
Molecular Weight
191.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isosorbide 2-mononitrate

for prevention & therapy of angina pectoris

CAS Number16106-20-0
PubChem CID62989
IUPAC Name[(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular FormulaC6H9NO6
Molecular Weight191.14
XLogP-0.4
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity216
SMILES
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O
InChI
InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey
YWXYYJSYQOXTPL-JGWLITMVSA-N
Chemical Structure
2D Structure
2D structure of Isosorbide 2-mononitrate
CAS: 16106-20-0
CID: 62989
Formula: C6H9NO6
MW: 191.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.14
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass191.04298701
Monoisotopic Mass191.04298701
Topological Polar Surface Area93.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity216
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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