Isosorbide 2-Nitrate - ≥95% , CAS No.16106-20-0

CAS: 16106-20-0 Cat. No.: I332310 Peso molecular: 191.14 Número EC: 240-271-4

GRADE & PURITY ≥95%

Synonyms

ISOSORBIDE DINITRATE, DILUTED IMPURITY B [EP IMPURITY] | D-Glucitol, 1,4:3,6-dianhydro-, 2-nitrate | Isosorbide-2-mononitrate | (3S,3aS,6R)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl nitrate | AS-12114 | 2-Ismn | Glucitol, 1,4:3,6-dianhydro-, 2-nitrate, D- |

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Isosorbide 2-Nitrate is an antianginal and a metabolite of Isosorbide Dinitrate.

Specifications

Sinónimos

ISOSORBIDE DINITRATE, DILUTED IMPURITY B [EP IMPURITY] | D-Glucitol, 1, 4:3, 6-dianhydro-, 2-nitrate | Isosorbide-2-mononitrate | (3S, 3aS, 6R)-6-hydroxyhexahydrofuro[3, 2-b]furan-3-yl nitrate | AS-12114 | 2-Ismn | Glucitol, 1, 4:3, 6-dianhydro-, 2-nitrate, D- |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O
• IUPAC Name: [(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
• InChIKey: YWXYYJSYQOXTPL-JGWLITMVSA-N
• 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
• Isómeros SMILES: C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O
• Peso molecular: 191.14
• Reaxy-Rn: 11247603
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11247603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furofurans
      • Subclass Isosorbides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furofurans
• Subclass: Isosorbides
• Intermediate Tree Nodes: Not available
• Direct Parent: Isosorbides
• Alternative Parents: Tetrahydrofurans Alkyl nitrates Secondary alcohols Organic nitro compounds Organic nitric acids and derivatives Oxacyclic compounds Dialkyl ethers Organic zwitterions Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Isosorbide - Organic nitrate - Tetrahydrofuran - Alkyl nitrate - Organic nitric acid or derivatives - Secondary alcohol - Organic nitro compound - Dialkyl ether - Ether - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic zwitterion - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Chloroform and Ethanol
• Peso molecular: 191.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 191.043 Da
• Monoisotopic Mass: 191.043 Da
• Topological Polar Surface Area: 93.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 216.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1