Inositol hexanitrate | CAS#7332-16-3 | Inositol derivative

MedKoo Cat#: 464323 | Name: Inositol hexanitrate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

Inositol hexanitrate

CAS#7332-16-3

Theoretical Analysis

MedKoo Cat#: 464323

Name: Inositol hexanitrate

CAS#: 7332-16-3

Chemical Formula: C6H6N6O18

Exact Mass: 449.9739

Molecular Weight: 450.14

Elemental Analysis: C, 16.01; H, 1.34; N, 18.67; O, 63.98

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

Inositol hexanitrate; Tolanate;

IUPAC/Chemical Name

(1R,2r,3S,4R,5s,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexanitrate

InChi Key

VAASRZPDHFMMMC-GPIVLXJGSA-N

InChi Code

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-

SMILES Code

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

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 450.14 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Nivinskas H, Sarlauskas J, Anusevicius Z, Toogood HS, Scrutton NS, Cenas N. Reduction of aliphatic nitroesters and N-nitramines by Enterobacter cloacae PB2 pentaerythritol tetranitrate reductase: quantitative structure-activity relationships. FEBS J. 2008 Dec;275(24):6192-203. doi: 10.1111/j.1742-4658.2008.06744.x. Epub 2008 Nov 5. PMID: 19016851.