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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
Names and Synonyms:
Isosorbide Dinitrate
D-Glucitol, 1,4:3,6-dianhydro-, 2,5-dinitrate
Glucitol, 1,4:3,6-dianhydro-, dinitrate, D-
D-Glucitol, 1,4:3,6-dianhydro-, dinitrate
Glucitol, 1,4:3,6-dianhydro-, dinitrate
Sorbitol, 1,4:3,6-dianhydro-, dinitrate
Furo[3,2-b]furan, D-glucitol deriv.
1,4:3,6-Dianhydro-D-sorbitol 2,5-dinitrate
Dinitrosorbide
Harrical
Isordil
Isordil Tembids
Isosorbide dinitrate
Nitrosorbide
Sorbide dinitrate
Sorbidnitrate
Carvanil
Carvasin
Cedocard
Cardis
Maycor
Isoket
Isorbid
Rigedal
Sorbangil
Sorbidilat
Sorquad
Sorbitrate
Vascardin
Vasorbate
Sorbonit
Nitrosorbid
Korodil
1,4:3,6-Dianhydrosorbitol 2,5-dinitrate
Resoidan
Claodical
Sorbide nitrate
Corosorbide
Flindix
ISDN
Isodinit
Isosorbide 2,5-dinitrate
Isoket retard 40
Isosorbide nitrate
Frandol
Dinitroisosorbide
D-Isosorbide dinitrate
TYB 3215
1,4:3,6-Dianhydro-D-glucitol 2,5-dinitrate
Sorbopercuten
Dilatrate SR
Vasotrate
SDM 25
EureCor
Laserdil
Rifloc Retard
Isdin
Nitorol
Myorexon
Iso-Mack
Isostenase
Duranitrat
Dilatrate
Cardio 10
Diniket
Nitrosorbonl Nosim
Sorbichew
Risordan
Dignionitrat
Isocard
Corovliss
Iso-Bid
Astridine
Langoran
Iso-Puren
Sorbid SA
Imtack
IBD
Glentonin
Isotrate
Disorlon
SDM 40
Nitrol
Soni-Slo
Nitrofix
Cardiket
NSC 80038
EV 151
Isonate?
Isocore
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
Key Properties
Melting Point
70 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.14 g/mol | CAS Common Chemistry |
| 236.13599999999997 g/mol | RDKit | |
| 236.02806521600002 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 |
| LogP | -1.0622000000000003 | RDKit |
| Molar Refractivity | 43.21480000000002 | RDKit |
