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Isosorbide

CAT: 0804-HY-B1469-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-B1469-01Size:25 g
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Description
Isosorbide (D-Isosorbide), an orally active vasodilating agent that can be used for the research of heart failure and angina (chest pain) . Isosorbide is also an oral hyperosmotic diuretic[1][2].
CAS Number
652-67-5
Product Name Alternative
D-Isosorbide; Dianhydro-D-glucitol
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Isosorbide.html
Purity
99.22
Solubility
DMSO : ≥ 100 mg/mL|H2O : ≥ 100 mg/mL
Smiles
O[C@H]1[C@]2([H])[C@]([C@@H](O)CO2)([H])OC1
Molecular Formula
C6H10O4
Molecular Weight
146.14
Precautions
H302, H315, H319, H335
References & Citations
[1]Rose M, et, al. Isosorbide as a renewable platform chemical for versatile applications--quo vadis? ChemSusChem. 2012 Jan 9;5 (1) :167-76.|[2]Nozawa I, et, al. Efficacy of long-term administration of isosorbide for Ménière's disease. ORL J Otorhinolaryngol Relat Spec. May-Jun 1995;57 (3) :135-40.|[3]Newman RA, et, al. Gallium nitrate (NSC-15200) induced toxicity in the rat: a pharmacologic, histopathologic and microanalytical investigation. Cancer. 1979 Nov;44 (5) :1728-40.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Isosorbide

Isosorbide is an organic molecular entity.

CAS Number652-67-5
PubChem CID12597
IUPAC Name(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
Molecular FormulaC6H10O4
Molecular Weight146.14
XLogP-1.4
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O
InChI
InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey
KLDXJTOLSGUMSJ-JGWLITMVSA-N
Chemical Structure
2D Structure
2D structure of Isosorbide
CAS: 652-67-5
CID: 12597
Formula: C6H10O4
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass146.05790880
Monoisotopic Mass146.05790880
Topological Polar Surface Area58.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
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
561635Isosorbide
B8664-100Isosorbide Dinitrate
229140-01D-Isosorbide
MBS6114368-01Isosorbide-13C6
BUP18267Isosorbide Mononitrate
OR62169-01Dimethyl isosorbide

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