Basic information
- CAS
87-33-2- Standard SMILES
O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12- InChIKey
MOYKHGMNXAOIAT-UHFFFAOYSA-N- Molecular formula
- C6H8N2O8
- Average molar mass
- 236.14 g/mol
- Monoisotopic mass
- 236.02806522
Overview
Isosorbide dinitrate mixture appears as a crystalline solid. May be toxic by ingestion. Used to make pharmaceuticals. Used as a heart drug.
Names & identifiers
- Preferred name
- Isosorbide dinitrate mixture
- IUPAC
- (6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) nitrate
- English name
- Isosorbide dinitrate
- Molecular formula
- C6H8N2O8
- Molecular weight
- 236.14
Names & synonyms
D-Glucitol, 1,4:3,6-dianhydro-, 2,5-dinitrateGlucitol, 1,4:3,6-dianhydro-, dinitrate1,4:3,6-Dianhydro-D-sorbitol 2,5-dinitrateSORBOPERCUTENSORBIDE DINITRATERefChem:792334Isosorbide dinitrate mixture1,4:3,6-Dianhydro-D-glucitol 2,5-dinitrateSORBITOL, 1,4:3,6-DIANHYDRO-, DINITRATEIsosorbide-13C6DinitrateSorbidinitrateAstridine
Show more names
Lion's ManeISDN(3R,3aS,6S,6aS)-hexahydrofuro[3,2-b]furan-3,6-diyl dinitrateisordilcarvasinsorbitratedilatrate-srLsosorbide DinitrateIsosorbitol dinitrate
CorovlissDisorlonIsochronLangoranSorbideSorquatIso-PurenSorate-5
Database identifiers
- CAS
87-33-2
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
DrugsPharmaceuticals
Physical DescriptionIsosorbide dinitrate mixture appears as a crystalline solid. May be toxic by ingestion. Used to make pharmaceuticals. Used as a heart drug.
Physicochemical properties
- Melting point
- 700 C · 700C
- alpha
- 20 · D20 +135° (alc)
- Boiling point
- 378.59 °C · 378.59°C (rough estimate)
- Density
- 1.7503 · 1.7503 (rough estimate)
- refractive index
- 1.501 · 1.5010 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Undiluted isosorbide dinitrate is very slightly soluble in water, very soluble in acetone, sparingly soluble in ethanol (96 per cent). The solubility of the diluted product depends on the diluent and its concentration.
- form
- Solid
- color
- White to Off-White
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT LabelFlammable Solid
Fire HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Health HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity Profile
Nitroalkanes, such as ISOSORBIDE DINITRATE MIXTURE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. This heart drug is detonable when dry, but non-explosive with 30% of water.
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Safety & protection
Fire FightingExcerpt from ERG Guide 133 [Flammable Solids]:
First AidExcerpt from ERG Guide 133 [Flammable Solids]:
Nonfire Spill ResponseExcerpt from ERG Guide 133 [Flammable Solids]:
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationD-Glucitol, 1,4:3,6-dianhydro-, 2,5-dinitrate: ACTIVE
Applications
UsesCoronary vasodilator
UsesIsosorbide dinitrate is also used in chronic cardiac insufficiency for preventing angina pectoris attacks. It is a long-lasting drug.
UsesAntianginal;Nitric oxide (NO) donor
General DescriptionA crystalline solid. May be toxic by ingestion. Used to make pharmaceuticals. Used as a heart drug.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Hebei shuoxi biotechnology co. LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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