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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
IBD
Imtack
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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP -1.0622000000000003 RDKit

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

Molar

Property Value Source
Molar Refractivity 43.21480000000002 RDKit

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