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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N6O18
Molecular Weight 450.1412
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INOSITOL HEXANITRATE

SMILES

[O-][N+](=O)O[C@@H]1[C@H](O[N+]([O-])=O)[C@H](O[N+]([O-])=O)[C@@H](O[N+]([O-])=O)[C@H](O[N+]([O-])=O)[C@H]1O[N+]([O-])=O

InChI

InChIKey=VAASRZPDHFMMMC-GPIVLXJGSA-N
InChI=1S/C6H6N6O18/c13-7(14)25-1-2(26-8(15)16)4(28-10(19)20)6(30-12(23)24)5(29-11(21)22)3(1)27-9(17)18/h1-6H/t1-,2-,3-,4+,5-,6-

HIDE SMILES / InChI
Inositol hexanitrate is a derivative of carbocyclic sugar inositol, where all six hydroxyl groups were substituted by nitro groups. Inositol hexanitrate was marketed under tradename Tolanate for the treatment of essential hypertension, particularly in emotional hypertension and the hypertension of the menopause.

Approval Year

PubMed

PubMed

TitleDatePubMed
Reduction of aliphatic nitroesters and N-nitramines by Enterobacter cloacae PB2 pentaerythritol tetranitrate reductase: quantitative structure-activity relationships.
2008 Dec
Patents
Name Type Language
INOSITOL HEXANITRATE
Common Name English
MESONITROL
Brand Name English
INOSITOL, HEXANITRATE
Common Name English
TOLANATE
Systematic Name English
MESOINOSITOL HEXANITRATE
Common Name English
NITRINOSE
Brand Name English
NITROSITOL
Brand Name English
MYO-INOSITOL, 1,2,3,4,5,6-HEXANITRATE
Common Name English
MYO-INOSITOL, HEXANITRATE
Common Name English
Classification Tree Code System Code
CFR 21 CFR 250.102
Created by admin on Fri Dec 15 15:03:03 UTC 2023 , Edited by admin on Fri Dec 15 15:03:03 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID80994039
Created by admin on Fri Dec 15 15:03:03 UTC 2023 , Edited by admin on Fri Dec 15 15:03:03 UTC 2023
PRIMARY
ECHA (EC/EINECS)
230-831-6
Created by admin on Fri Dec 15 15:03:03 UTC 2023 , Edited by admin on Fri Dec 15 15:03:03 UTC 2023
PRIMARY
FDA UNII
686T63H73D
Created by admin on Fri Dec 15 15:03:03 UTC 2023 , Edited by admin on Fri Dec 15 15:03:03 UTC 2023
PRIMARY
CAS
7332-16-3
Created by admin on Fri Dec 15 15:03:03 UTC 2023 , Edited by admin on Fri Dec 15 15:03:03 UTC 2023
PRIMARY