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Molecule
Isosorbide Dinitrate
CAS: 87-33-2 · C6H8N2O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 87-33-2
- Molecular Formula
- C6H8N2O8
- Molecular Mass
- 236.14 g/mol
Identifiers
CAS Registry Number
87-33-2
SMILES
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]
InChI Key
MOYKHGMNXAOIAT-JGWLITMVSA-N
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
Names and Synonyms
- Isosorbide Dinitrate Common Name
- D-Glucitol, 1,4:3,6-dianhydro-, 2,5-dinitrate Synonym
- Glucitol, 1,4:3,6-dianhydro-, dinitrate, D- Synonym
- D-Glucitol, 1,4:3,6-dianhydro-, dinitrate Synonym
- Glucitol, 1,4:3,6-dianhydro-, dinitrate Synonym
- Sorbitol, 1,4:3,6-dianhydro-, dinitrate Synonym
- Furo[3,2-b]furan, D-glucitol deriv. Synonym
- 1,4:3,6-Dianhydro-D-sorbitol 2,5-dinitrate Synonym
- Dinitrosorbide Synonym
- Harrical Synonym
- Isordil Synonym
- Isordil Tembids Synonym
- Isosorbide dinitrate Synonym
- Nitrosorbide Synonym
- Sorbide dinitrate Synonym
- Sorbidnitrate Synonym
- Carvanil Synonym
- Carvasin Synonym
- Cedocard Synonym
- Cardis Synonym
- Maycor Synonym
- Isoket Synonym
- Isorbid Synonym
- Rigedal Synonym
- Sorbangil Synonym
- Sorbidilat Synonym
- Sorquad Synonym
- Sorbitrate Synonym
- Vascardin Synonym
- Vasorbate Synonym
- Sorbonit Synonym
- Nitrosorbid Synonym
- Korodil Synonym
- 1,4:3,6-Dianhydrosorbitol 2,5-dinitrate Synonym
- Resoidan Synonym
- Claodical Synonym
- Sorbide nitrate Synonym
- Corosorbide Synonym
- Flindix Synonym
- ISDN Synonym
- Isodinit Synonym
- Isosorbide 2,5-dinitrate Synonym
- Isoket retard 40 Synonym
- Isosorbide nitrate Synonym
- Frandol Synonym
- Dinitroisosorbide Synonym
- D-Isosorbide dinitrate Synonym
- TYB 3215 Synonym
- 1,4:3,6-Dianhydro-D-glucitol 2,5-dinitrate Synonym
- Sorbopercuten Synonym
- Dilatrate SR Synonym
- Vasotrate Synonym
- SDM 25 Synonym
- EureCor Synonym
- Laserdil Synonym
- Rifloc Retard Synonym
- Isdin Synonym
- Nitorol Synonym
- Myorexon Synonym
- Iso-Mack Synonym
- Isostenase Synonym
- Duranitrat Synonym
- Dilatrate Synonym
- Cardio 10 Synonym
- Diniket Synonym
- Nitrosorbonl Nosim Synonym
- Sorbichew Synonym
- Risordan Synonym
- Dignionitrat Synonym
- Isocard Synonym
- Corovliss Synonym
- Iso-Bid Synonym
- Astridine Synonym
- Langoran Synonym
- Iso-Puren Synonym
- Sorbid SA Synonym
- Imtack Synonym
- IBD Synonym
- Glentonin Synonym
- Isotrate Synonym
- Disorlon Synonym
- SDM 40 Synonym
- Nitrol Synonym
- Soni-Slo Synonym
- Nitrofix Synonym
- Cardiket Synonym
- NSC 80038 Synonym
- EV 151 Synonym
- Isonate? Synonym
- Isocore Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.14 g/mol | CAS Common Chemistry |
| 236.13599999999997 g/mol | RDKit | |
| 236.136 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)OC1COC2C(ON(=O)=O)COC12 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=MOYKHGMNXAOIAT-JGWLITMVSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | Isosorbide dinitrate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 123.20000000000002 Ų | RDKit |
| 123.2 Ų | RDKit | |
| 113.52 Ų | chempirical lib | |
| LogP | -1.0622000000000003 | RDKit |
| -1.0622 | RDKit | |
| Molar Refractivity | 43.21480000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 236.02806521600002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 236.14 g/mol. Edit any field — others recompute live.
