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Isosorbide Dinitrate
CAS: 87-33-2 | C6H8N2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
87-33-2
Molecular Formula:
C6H8N2O8
Molecular Weight:
236.13599999999997 g/mol
Names and Synonyms:
Isosorbide Dinitrate
Common Name
IBD
Synonym
Imtack
Synonym
Isocore
Synonym
Isonate?
Synonym
EV 151
Synonym
NSC 80038
Synonym
Cardiket
Synonym
Nitrofix
Synonym
Soni-Slo
Synonym
Nitrol
Synonym
SDM 40
Synonym
Disorlon
Synonym
Isotrate
Synonym
Glentonin
Synonym
Sorbid SA
Synonym
Iso-Puren
Synonym
Langoran
Synonym
Astridine
Synonym
Iso-Bid
Synonym
Corovliss
Synonym
Isocard
Synonym
Dignionitrat
Synonym
Risordan
Synonym
Sorbichew
Synonym
Nitrosorbonl Nosim
Synonym
Diniket
Synonym
Cardio 10
Synonym
Dilatrate
Synonym
Duranitrat
Synonym
Isostenase
Synonym
Iso-Mack
Synonym
Myorexon
Synonym
Nitorol
Synonym
Isdin
Synonym
Rifloc Retard
Synonym
Laserdil
Synonym
EureCor
Synonym
SDM 25
Synonym
Vasotrate
Synonym
Dilatrate SR
Synonym
Sorbopercuten
Synonym
1,4:3,6-Dianhydro-D-glucitol 2,5-dinitrate
Synonym
TYB 3215
Synonym
D-Isosorbide dinitrate
Synonym
Dinitroisosorbide
Synonym
Frandol
Synonym
Isosorbide nitrate
Synonym
Isoket retard 40
Synonym
Isosorbide 2,5-dinitrate
Synonym
Isodinit
Synonym
ISDN
Synonym
Flindix
Synonym
Corosorbide
Synonym
Sorbide nitrate
Synonym
Claodical
Synonym
Resoidan
Synonym
1,4:3,6-Dianhydrosorbitol 2,5-dinitrate
Synonym
Korodil
Synonym
Nitrosorbid
Synonym
Sorbonit
Synonym
Vasorbate
Synonym
Vascardin
Synonym
Sorbitrate
Synonym
Sorquad
Synonym
Sorbidilat
Synonym
Sorbangil
Synonym
Rigedal
Synonym
Isorbid
Synonym
Isoket
Synonym
Maycor
Synonym
Cardis
Synonym
Cedocard
Synonym
Carvasin
Synonym
Carvanil
Synonym
Sorbidnitrate
Synonym
Sorbide dinitrate
Synonym
Nitrosorbide
Synonym
Isosorbide dinitrate
Synonym
Isordil Tembids
Synonym
Isordil
Synonym
Harrical
Synonym
Dinitrosorbide
Synonym
1,4:3,6-Dianhydro-D-sorbitol 2,5-dinitrate
Synonym
Furo[3,2-b]furan, D-glucitol deriv.
Synonym
Sorbitol, 1,4:3,6-dianhydro-, dinitrate
Synonym
Glucitol, 1,4:3,6-dianhydro-, dinitrate
Synonym
D-Glucitol, 1,4:3,6-dianhydro-, dinitrate
Synonym
Glucitol, 1,4:3,6-dianhydro-, dinitrate, D-
Synonym
D-Glucitol, 1,4:3,6-dianhydro-, 2,5-dinitrate
Synonym
Identifiers:
SMILES:
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 236.13599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 236.02806521600002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 123.20000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0622000000000003 | RDKit |
| molecular_mass | 236.14 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)OC1COC2C(ON(=O)=O)COC12 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=MOYKHGMNXAOIAT-JGWLITMVSA-N None | Legacy Database |
| cas-melting-point | 70 °C None | Legacy Database |
| cas-name | Isosorbide dinitrate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.21480000000002 | RDKit |