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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H11NO7
Molecular Weight 233.1754
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isosorbide 2-acetate 5-nitrate

SMILES

CC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O

InChI

InChIKey=RFCPWRHGGSRYGX-LXGUWJNJSA-N
InChI=1S/C8H11NO7/c1-4(10)15-5-2-13-8-6(16-9(11)12)3-14-7(5)8/h5-8H,2-3H2,1H3/t5-,6+,7+,8+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Isosorbide 2-acetate 5-nitrate
Common Name English
(3S,3aR,6R,6aS)-6-(Nitrooxy)hexahydrofuro[3,2-b]furan-3-yl acetate
Preferred Name English
1,4:3,6-Dianhydro-D-glucitol 2-acetate 5-nitrate
Systematic Name English
D-Glucitol, 1,4:3,6-dianhydro-, 2-acetate 5-nitrate
Systematic Name English
Code System Code Type Description
CAS
39813-48-4
Created by admin on Wed Apr 02 10:08:12 GMT 2025 , Edited by admin on Wed Apr 02 10:08:12 GMT 2025
PRIMARY
FDA UNII
66BZ9F4SGM
Created by admin on Wed Apr 02 10:08:12 GMT 2025 , Edited by admin on Wed Apr 02 10:08:12 GMT 2025
PRIMARY
PUBCHEM
11183884
Created by admin on Wed Apr 02 10:08:12 GMT 2025 , Edited by admin on Wed Apr 02 10:08:12 GMT 2025
PRIMARY
NIH
NCATS
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