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IBD
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:
IBD
Imtack
Isosorbide Dinitrate
Isocore
Isonate?
EV 151
NSC 80038
Cardiket
Nitrofix
Soni-Slo
Nitrol
SDM 40
Disorlon
Isotrate
Glentonin
Sorbid SA
Iso-Puren
Langoran
Astridine
Iso-Bid
Corovliss
Isocard
Dignionitrat
Risordan
Sorbichew
Nitrosorbonl Nosim
Diniket
Cardio 10
Dilatrate
Duranitrat
Isostenase
Iso-Mack
Myorexon
Nitorol
Isdin
Rifloc Retard
Laserdil
EureCor
SDM 25
Vasotrate
Dilatrate SR
Sorbopercuten
1,4:3,6-Dianhydro-D-glucitol 2,5-dinitrate
TYB 3215
D-Isosorbide dinitrate
Dinitroisosorbide
Frandol
Isosorbide nitrate
Isoket retard 40
Isosorbide 2,5-dinitrate
Isodinit
ISDN
Flindix
Corosorbide
Sorbide nitrate
Claodical
Resoidan
1,4:3,6-Dianhydrosorbitol 2,5-dinitrate
Korodil
Nitrosorbid
Sorbonit
Vasorbate
Vascardin
Sorbitrate
Sorquad
Sorbidilat
Sorbangil
Rigedal
Isorbid
Isoket
Maycor
Cardis
Cedocard
Carvasin
Carvanil
Sorbidnitrate
Sorbide dinitrate
Nitrosorbide
Isosorbide dinitrate
Isordil Tembids
Isordil
Harrical
Dinitrosorbide
1,4:3,6-Dianhydro-D-sorbitol 2,5-dinitrate
Furo[3,2-b]furan, D-glucitol deriv.
Sorbitol, 1,4:3,6-dianhydro-, dinitrate
Glucitol, 1,4:3,6-dianhydro-, dinitrate
D-Glucitol, 1,4:3,6-dianhydro-, dinitrate
Glucitol, 1,4:3,6-dianhydro-, dinitrate, D-
D-Glucitol, 1,4:3,6-dianhydro-, 2,5-dinitrate
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 236.14 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)OC1COC2C(ON(=O)=O)COC12 | 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 | Legacy Database | |
| cas-inchi-key | InChIKey=MOYKHGMNXAOIAT-JGWLITMVSA-N | Legacy Database | |
| cas-melting-point | 70 °C | Legacy Database | |
| cas-name | Isosorbide dinitrate | Legacy Database | |
| LogP | -1.0622000000000003 | RDKit | |
| Molecular | Molecular Weight | 236.13599999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 236.02806521600002 g/mol | RDKit |
| Heavy | Heavy Atom Count | 16 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 123.20000000000002 Ų | RDKit |
| Molar | Molar Refractivity | 43.21480000000002 | RDKit |
