Identification

Name
Inositol
Accession Number
DB13178  (DB11196)
Type
Small Molecule
Groups
Approved, Investigational, Withdrawn
Description

Inositol is a collection of nine different stereoisomers but the name is usually used to describe only the most common type of inositol, myo-inositol. Myo-inositol is the cis-1,2,3,5-trans-4,6-cyclohexanehexol and it is prepared from an aqueous extract of corn kernels by precipitation and hydrolysis of crude phytate. These molecules have structural similarities to glucose and are involved in cellular signaling. It is considered a pseudovitamin as it is a molecule that does not qualify to be an essential vitamin because even though its presence is vital in the body, a deficiency in this molecule does not translate into disease conditions.[26] Inositol can be found as an ingredient of OTC products by Health Canada but all current product whose main ingredient is inositol are discontinued.[27] By the FDA, inositol is considered in the list of specific substances affirmed as generally recognized as safe (GRAS).[28]

Structure
Thumb
Synonyms
  • 1,2,3,5/4,6-cyclohexanehexol
  • cis-1,2,3,5-trans-4,6-cyclohexanehexol
  • Inositol
  • L-myo-Inositol
  • Meat sugar
  • meso-Inositol
  • myo-inositol
External IDs
NSC-8101
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Inositol Tab 405mgTablet405 mgOralStandard Process Inc.Not applicableNot applicableCanada
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Inositol 250mg - TabTablet250 mgOralInternational Nutrition Ltd.1996-07-262001-08-17Canada
Inositol 500mgTablet500 mgOralGreat Earth Companies, Inc.1998-08-252002-10-02Canada
Inositol Caps 500mgCapsule500 mgOralTwin Laboratories Inc.1995-12-311999-11-10Canada
Inositol Ctr Srt 400mgTablet, extended release400 mgOralBioenergy Inc.1979-12-311998-06-03Canada
Inositol Tab 250mgTablet250 mgOralJamieson Laboratories Ltd1963-12-311997-08-13Canada
Inositol Tab 250mgTablet250 mgOralLes Laboratoires Bio SantÉ Inc.1985-12-311996-09-10Canada
Inositol-S Tab 400mgTablet400 mgOralNutri West Products Ltd.1991-12-312002-06-14Canada
Inositolex 400mgmsTablet400 mgOralTherapeutic Foods Co.1989-12-152003-07-16Canada
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
24 Multivitamins + MineralsInositol (25 mg) + Ascorbic acid (150 mg) + Beta carotene (10000 unit) + Biotin (25 mcg) + Calcium (130 mg) + Cholecalciferol (400 unit) + Choline bitartrate (25 mg) + Chromium (20 mcg) + Copper (1 mg) + Cyanocobalamin (25 mcg) + Ferrous fumarate (15 mg) + Folic Acid (.8 mg) + Magnesium (65 mg) + Manganese (2 mg) + Molybdenum (20 mcg) + Niacin (25 mg) + Calcium pantothenate (25 mg) + Potassium (15 mg) + Potassium Iodide (.1 mg) + Pyridoxine hydrochloride (25 mg) + Racemethionine (25 mg) + Riboflavin (25 mg) + Selenium (20 mcg) + Thiamine hydrochloride (25 mg) + Vanadium (20 mcg) + Vitamin A palmitate (5000 unit) + Vitamin E (50 unit) + Zinc (10 mg)TabletOralStanley Pharmaceuticals, A Division Of Vita Health Products Inc.1997-04-302002-07-31Canada
50 PlusInositol (20 mg) + Ascorbic acid (200 mg) + Biotin (20 mcg) + Choline bitartrate (20 mg) + Cyanocobalamin (20 mcg) + Folic Acid (.2 mg) + Niacin (20 mg) + Calcium pantothenate (20 mg) + Pyridoxine hydrochloride (20 mg) + Racemethionine (20 mg) + Riboflavin (20 mg) + Thiamine hydrochloride (20 mg) + Vitamin A palmitate (10000 unit) + Vitamin D (400 unit) + Vitamin E (20 unit)TabletOralQuest Vitamins A Div Of Purity Life Health Products1998-08-042001-07-06Canada
Advanced 2000 CapsulesInositol (15 mg) + Choline (15 mg) + Chromium (50 mcg) + Manganese (1 mg) + Pantothenic acid (15 mg) + Pyridoxine hydrochloride (4 mg)CapsuleOralBody Gold, A Division Of Pep Products, Inc.2000-01-012002-08-22Canada
AlertonicInositol (2.222 mg) + Choline (2.222 mg) + Nicotinamide (1.111 mg) + Pipradrol hydrochloride (0.044 mg) + Pyridoxine hydrochloride (0.042 mg) + Riboflavin (0.111 mg) + Thiamine hydrochloride (0.222 mg)ElixirOralOdan Laboratories Ltd1995-12-31Not applicableCanada
AlertonicInositol (2.222 mg) + Choline (2.222 mg) + Nicotinamide (1.111 mg) + Pipradrol hydrochloride (.044 mg) + Pyridoxine hydrochloride (.042 mg) + Riboflavin (.111 mg) + Thiamine hydrochloride (.222 mg)LiquidOralMerrell Pharms Inc., Division Of Merrell Dow (Can)1967-12-311996-09-09Canada
American Eagle Energizer Plus Vitamin Supplement DrinkInositol (50 mg) + Choline (50 mg) + Cyanocobalamin (5 mg) + Niacin (20 mg) + Pantothenic acid (5 mg) + Pyridoxine (3 mg)LiquidOralP.S.W.C. Co., Inc.Not applicableNot applicableCanada
American Plus Energy & Vitamin DrinkInositol (50 mg) + Choline (50 mg) + Cyanocobalamin (5 mcg) + Niacin (20 mg) + Pantothenic acid (5 mg) + Pyridoxine (3 mg)LiquidOralP.S.W.C. Co., Inc.Not applicableNot applicableCanada
Amino-cervInositol (0.83 %) + Cystine (0.354 %) + Sodium propionate (0.50 %) + Racemethionine (0.83 %) + Urea (8.34 %)CreamVaginalMilex, A Coopersurgical Co.1952-12-312007-07-26Canada
B 50 CapsulesInositol (50 mg) + Biotin (50 mcg) + Choline bitartrate (50 mg) + Cyanocobalamin (50 mcg) + Folic Acid (.4 mg) + Nicotinamide (50 mg) + Calcium pantothenate (50 mg) + Pyridoxine hydrochloride (50 mg) + Riboflavin (50 mg) + Thiamine mononitrate (50 mg)CapsuleOralRheingold Food International Ltd.1987-12-312007-07-26Canada
B Complex 25mg Vitamin SupplementInositol (25 mg) + Biotin (25 mcg) + Choline bitartrate (25 mg) + Cyanocobalamin (25 mcg) + Folic Acid (0.4 mg) + Nicotinamide (25 mg) + Pantothenic acid (25 mg) + Pyridoxine hydrochloride (25 mg) + Riboflavin (25 mg) + Thiamine hydrochloride (25 mg)TabletOralGarden State Nutritionals1998-08-312000-06-07Canada
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
LipoviteInositol (1 mg/1mL) + Choline (1 mg/1mL) + Chromium (1 mg/1mL) + Dexpanthenol (1 mg/1mL) + L-Citrulline (1 mg/1mL) + Levocarnitine (1 mg/1mL) + Lidocaine (1 mg/1mL) + Methionine sulfoximine (1 mg/1mL) + Methylcobalamin (1 mg/1mL) + Nicotinamide (1 mg/1mL) + Pyridoxine (1 mg/1mL) + Riboflavin (1 mg/1mL) + Thiamine chloride (1 mg/1mL)InjectionIntramuscularPerdido Key Health And Wellness Inc2015-11-23Not applicableUs
Mic B12Inositol (1 mg/1mL) + Choline C-11 (1 mg/1mL) + Methionine sulfoximine (1 mg/1mL) + Methylcobalamin (1 mg/1mL)InjectionIntramuscularPerdido Key Health And Wellness Inc2015-11-23Not applicableUs
Neonatal Plus VitaminInositol (5 mg/1) + Ascorbic acid (20 mg/1) + Boron (0.2 mg/1) + Calcium (200 mg/1) + Cholecalciferol (10 ug/1) + Citrus bioflavonoids (2 mg/1) + Copper (2 mg/1) + Cyanocobalamin (12 ug/1) + Ferrous fumarate (27 mg/1) + Folic Acid (1000 ug/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (10 mg/1) + Riboflavin (3 mg/1) + Thiamine chloride (1.84 mg/1) + Vitamin A (1200 ug/1) + Zinc oxide (25 mg/1) + alpha-Tocopherol acetate (9.2 mg/1)TabletOralNeomed Pharmaceutical2018-07-31Not applicableUs
Categories
UNII
4L6452S749
CAS number
87-89-8
Weight
Average: 180.1559
Monoisotopic: 180.063388116
Chemical Formula
C6H12O6
InChI Key
CDAISMWEOUEBRE-GPIVLXJGSA-N
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
IUPAC Name
(1R,2R,3r,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol
SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O

Pharmacology

Indication

Inositol may be used in food without any limitation. As a drug, inositol is used as a nutrient supplement in special dietary foods and infant formula.[28] As it presents a relevant role in ensuring oocyte fertility, inositol has been studied for its use in the management of polycystic ovaries.[1] Inositol is also being researched for the treatment of diabetes,[2] prevention of metabolic syndrome,[4] aid agent for weight loss,[5] treatment of depression, psychiatric disorder and anxiety disorder[6] and for prevention of cancer.[7]

Pharmacodynamics

Inositol can stimulate glucose uptake in skeletal muscle cells which allows the decrease in blood sugar levels. This effect is later seen as a reduction in urine glucose concentration and indicates a decrease in high blood sugar levels.[8]

In PCOS, the administration of inositol has produced the remission of symptoms as well as a reduction in male hormone secretion[9], a regulation of the cholesterol level,[4] and a more efficient fat breakdown which allow to a significant reduction on body mass and appetite.[10]

In the cases of infertility, inositol has been proven to increase sperm count and motility,[14] as well as increase the overall quality of oocytes and embryos.[15]

In the brain, inositol has been shown to produce an increase in serotonin receptor sensitivity. This activity produces an increase in GABA release.[11] Some of the effects observed in the brain produced a relief in symptoms of anxiety and obsessive-compulsive disorders.[12] In high doses, it has been shown to even reduce panic attacks.[13]

In cancer research, inositol has gained interest as it can act as an antioxidant, anti-inflammatory and it seems to enhance immune properties.[7]

Mechanism of action

The mechanism of action of inositol in brain disorders is not fully understood but it is thought that it may be involved in neurotransmitter synthesis and it is a precursor to the phosphatidylinositol cycle. The change that occurs in the cycle simulates when the postsynaptic receptor is activated but without activating the receptor. This activity provokes a fake activation which regulated the activity of monoamines and other neurotransmitters.[25]

Reports have shown that insulin resistance plays a key role in the clinical development of PCOS. The presence of hyperinsulinemia can induce an excess in androgen production by stimulating ovaries to produce androgens and by reducing the sex hormone binding globulin serum levels. One of the mechanisms of insulin deficiency is thought to be related to a deficiency in inositol in the inositolphosphoglycans. The administration of inositol allows it to act as a direct messenger of the insulin signaling and improves glucose tissue uptake.[16] This mechanism is extrapolated to its functions in diabetes treatment, metabolic syndrome, and weight loss.[29]

In cancer, the mechanism of action of inositol is not fully understood. It is hypothesized that the administration of inositol increases the level of lower-phosphate inositol phosphates why can affect cycle regulation, growth, and differentiation of malignant cells. On the other hand, the formation of inositol hexaphosphate after administration of inositol presents antioxidant characteristics by the chelation of ferric ions and suppression of hydroxyl radicals.[17]

Absorption

Inositol is absorbed from the small intestine.[25] In patients with inositol deficiency, the maximal plasma concentration after oral administration of inositol is registered to be of 4 hours.[19] Inositol is taken up by the tissues via sodium-dependent inositol co-transporter which also mediates glucose uptake.[20] Oral ingestion of inositol is registered to generate a maximal plasma concentration of 36-45 mcg.[21]

Volume of distribution

The pharmacokinetic profile of inositol was studied in preterm infants and the estimated volume of distribution was reported to be 0.5115 L/kg.[18]

Protein binding

It is thought that inositol can be found bound to plasma proteins.

Metabolism

It is thought that inositol is metabolized to phosphoinositol and then converted to phosphatylinositol-4,5-biphosphate which is a precursor of the second-messenger molecules.[25] Inositol can be transformed to D-chiro-inositol via the actions of an epimerase. The normal modifications to inositol structure seem to be between all the different isomers.[22]

Route of elimination

Most of the administered dose is excreted in urine.[23]

Half life

The pharmacokinetic profile of inositol was studied in preterm infants and the estimated elimination half-life was reported to be of 5.22 hours.[18]

Clearance

The pharmacokinetic profile of inositol was studied in preterm infants and the estimated clearance rate was reported to be 0.0679 L.kg/h.[18]

Toxicity

Consumption of high doses of inositol is reported to only cause some gastrointestinal effects.[24]

Affected organisms
  • Humans and other mammals
Pathways
PathwayCategory
Phosphatidylinositol Phosphate MetabolismMetabolic
Joubert SyndromeDisease
Galactose MetabolismMetabolic
Inositol Phosphate Metabolism Metabolic
Inositol Metabolism Metabolic
Galactose MetabolismMetabolic
Inositol Phosphate MetabolismMetabolic
Inositol MetabolismMetabolic
Inositol MetabolismMetabolic
GalactosemiaDisease
D-myo-Inositol (1,4,5)-Trisphosphate BiosynthesisMetabolic
Inositol Phosphate MetabolismMetabolic
Phosphatidylinositol Phosphate MetabolismMetabolic
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AbacavirAbacavir may decrease the excretion rate of Inositol which could result in a higher serum level.
AcarboseAcarbose may decrease the excretion rate of Inositol which could result in a higher serum level.
AceclofenacAceclofenac may decrease the excretion rate of Inositol which could result in a higher serum level.
AcemetacinAcemetacin may decrease the excretion rate of Inositol which could result in a higher serum level.
AcetaminophenAcetaminophen may decrease the excretion rate of Inositol which could result in a higher serum level.
AcetazolamideAcetazolamide may increase the excretion rate of Inositol which could result in a lower serum level and potentially a reduction in efficacy.
Acetylsalicylic acidAcetylsalicylic acid may decrease the excretion rate of Inositol which could result in a higher serum level.
AclidiniumAclidinium may decrease the excretion rate of Inositol which could result in a higher serum level.
AcrivastineAcrivastine may decrease the excretion rate of Inositol which could result in a higher serum level.
AcyclovirAcyclovir may decrease the excretion rate of Inositol which could result in a higher serum level.
Food Interactions
Not Available

References

General References
  1. Bizzarri M, Carlomagno G: Inositol: history of an effective therapy for Polycystic Ovary Syndrome. Eur Rev Med Pharmacol Sci. 2014 Jul;18(13):1896-903. [PubMed:25010620]
  2. Werner EF, Froehlich RJ: The Potential Role for Myoinositol in the Prevention of Gestational Diabetes Mellitus. Am J Perinatol. 2016 Nov;33(13):1236-1241. doi: 10.1055/s-0036-1584273. Epub 2016 May 23. [PubMed:27213831]
  3. Sam S: Obesity and Polycystic Ovary Syndrome. Obes Manag. 2007 Apr;3(2):69-73. doi: 10.1089/obe.2007.0019. [PubMed:20436797]
  4. Gerli S, Papaleo E, Ferrari A, Di Renzo GC: Randomized, double blind placebo-controlled trial: effects of myo-inositol on ovarian function and metabolic factors in women with PCOS. Eur Rev Med Pharmacol Sci. 2007 Sep-Oct;11(5):347-54. [PubMed:18074942]
  5. Andersen DB, Holub BJ: The relative response of hepatic lipids in the rat to graded levels of dietary myo-inositol and other lipotropes. J Nutr. 1980 Mar;110(3):496-504. doi: 10.1093/jn/110.3.496. [PubMed:7359221]
  6. Rango M, Cogiamanian F, Marceglia S, Barberis B, Arighi A, Biondetti P, Priori A: Myoinositol content in the human brain is modified by transcranial direct current stimulation in a matter of minutes: a 1H-MRS study. Magn Reson Med. 2008 Oct;60(4):782-9. doi: 10.1002/mrm.21709. [PubMed:18816828]
  7. Han W, Gills JJ, Memmott RM, Lam S, Dennis PA: The chemopreventive agent myoinositol inhibits Akt and extracellular signal-regulated kinase in bronchial lesions from heavy smokers. Cancer Prev Res (Phila). 2009 Apr;2(4):370-6. doi: 10.1158/1940-6207.CAPR-08-0209. Epub 2009 Mar 31. [PubMed:19336734]
  8. Ortmeyer HK: Dietary myoinositol results in lower urine glucose and in lower postprandial plasma glucose in obese insulin resistant rhesus monkeys. Obes Res. 1996 Nov;4(6):569-75. [PubMed:8946442]
  9. Zacche MM, Caputo L, Filippis S, Zacche G, Dindelli M, Ferrari A: Efficacy of myo-inositol in the treatment of cutaneous disorders in young women with polycystic ovary syndrome. Gynecol Endocrinol. 2009 Aug;25(8):508-13. doi: 10.1080/09513590903015544. [PubMed:19551544]
  10. Gerli S, Mignosa M, Di Renzo GC: Effects of inositol on ovarian function and metabolic factors in women with PCOS: a randomized double blind placebo-controlled trial. Eur Rev Med Pharmacol Sci. 2003 Nov-Dec;7(6):151-9. [PubMed:15206484]
  11. Ciranna L: Serotonin as a modulator of glutamate- and GABA-mediated neurotransmission: implications in physiological functions and in pathology. Curr Neuropharmacol. 2006 Apr;4(2):101-14. [PubMed:18615128]
  12. Palatnik A, Frolov K, Fux M, Benjamin J: Double-blind, controlled, crossover trial of inositol versus fluvoxamine for the treatment of panic disorder. J Clin Psychopharmacol. 2001 Jun;21(3):335-9. [PubMed:11386498]
  13. Levine J: Controlled trials of inositol in psychiatry. Eur Neuropsychopharmacol. 1997 May;7(2):147-55. [PubMed:9169302]
  14. Condorelli RA, La Vignera S, Bellanca S, Vicari E, Calogero AE: Myoinositol: does it improve sperm mitochondrial function and sperm motility? Urology. 2012 Jun;79(6):1290-5. doi: 10.1016/j.urology.2012.03.005. [PubMed:22656408]
  15. Unfer V, Carlomagno G, Papaleo E, Vailati S, Candiani M, Baillargeon JP: Hyperinsulinemia Alters Myoinositol to d-chiroinositol Ratio in the Follicular Fluid of Patients With PCOS. Reprod Sci. 2014 Jul;21(7):854-858. doi: 10.1177/1933719113518985. Epub 2014 Feb 4. [PubMed:24501149]
  16. Regidor PA, Schindler AE: Myoinositol as a Safe and Alternative Approach in the Treatment of Infertile PCOS Women: A German Observational Study. Int J Endocrinol. 2016;2016:9537632. doi: 10.1155/2016/9537632. Epub 2016 Aug 23. [PubMed:27642297]
  17. Vucenik I, Shamsuddin AM: Cancer inhibition by inositol hexaphosphate (IP6) and inositol: from laboratory to clinic. J Nutr. 2003 Nov;133(11 Suppl 1):3778S-3784S. [PubMed:14608114]
  18. Phelps DL, Ward RM, Williams RL, Nolen TL, Watterberg KL, Oh W, Goedecke M, Ehrenkranz RA, Fennell T, Poindexter BB, Cotten CM, Hallman M, Frantz ID 3rd, Faix RG, Zaterka-Baxter KM, Das A, Ball MB, Lacy CB, Walsh MC, Carlo WA, Sanchez PJ, Bell EF, Shankaran S, Carlton DP, Chess PR, Higgins RD: Safety and pharmacokinetics of multiple dose myo-inositol in preterm infants. Pediatr Res. 2016 Aug;80(2):209-17. doi: 10.1038/pr.2016.97. Epub 2016 Apr 13. [PubMed:27074126]
  19. Grases F, Simonet BM, Vucenik I, Prieto RM, Costa-Bauza A, March JG, Shamsuddin AM: Absorption and excretion of orally administered inositol hexaphosphate (IP(6) or phytate) in humans. Biofactors. 2001;15(1):53-61. [PubMed:11673644]
  20. Coady MJ, Wallendorff B, Gagnon DG, Lapointe JY: Identification of a novel Na+/myo-inositol cotransporter. J Biol Chem. 2002 Sep 20;277(38):35219-24. doi: 10.1074/jbc.M204321200. Epub 2002 Jul 19. [PubMed:12133831]
  21. Carlomagno G, De Grazia S, Unfer V, Manna F: Myo-inositol in a new pharmaceutical form: a step forward to a broader clinical use. Expert Opin Drug Deliv. 2012 Mar;9(3):267-71. doi: 10.1517/17425247.2012.662953. [PubMed:22339497]
  22. Yamashita Y, Yamaoka M, Hasunuma T, Ashida H, Yoshida K: Detection of orally administered inositol stereoisomers in mouse blood plasma and their effects on translocation of glucose transporter 4 in skeletal muscle cells. J Agric Food Chem. 2013 May 22;61(20):4850-4. doi: 10.1021/jf305322t. Epub 2013 May 13. [PubMed:23641877]
  23. DAUGHADAY WH, LARNER J: The renal excretion of inositol in normal and diabetic human beings. J Clin Invest. 1954 Mar;33(3):326-32. doi: 10.1172/JCI102901. [PubMed:13143077]
  24. Carlomagno G, Unfer V: Inositol safety: clinical evidences. Eur Rev Med Pharmacol Sci. 2011 Aug;15(8):931-6. [PubMed:21845803]
  25. Kapalka G. (2010). Practical resources for the Mental Health Professional. Academic Press.
  26. Examine [Link]
  27. Health Canada [Link]
  28. FDA code of federal regulations [Link]
  29. Inositol report University of Wisconsin [File]
External Links
Human Metabolome Database
HMDB0000211
KEGG Drug
D08079
KEGG Compound
C00137
PubChem Substance
347829280
ChemSpider
10239179
ChEBI
17268
ChEMBL
CHEMBL1222251
HET
INS
Wikipedia
Inositol
ATC Codes
A11HA07 — Inositol
AHFS Codes
  • 88:30.00* — Other Nutritional Agents
  • 88:08.00 — Vitamin B Complex
PDB Entries
1aod / 1g0i / 1iev / 1ptg / 1y7v / 2huo / 2os9 / 2r71 / 2x1i / 3bxd
show 24 more
MSDS
Download (53.1 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Unknown StatusTreatmentPolycystic Ovaries Syndrome1
1CompletedPreventionRecurrent Neural Tube Defects1
1, 2Not Yet RecruitingTreatmentAnxiety Disorders / Bipolar Disorder (BD) / Feeling Anxious1
1, 2TerminatedPreventionColon Carcinoma / Dysplasia in Crohn Disease / Low Grade Dysplasia in Ulcerative Colitis / Rectal Carcinoma1
2CompletedPreventionLung Cancer Non-Small Cell Cancer (NSCLC) / Squamous Lung Dysplasia1
2CompletedTreatmentHair Pulling / Trichotillomania1
2, 3Active Not RecruitingTreatmentInfertilities / Polycystic Ovarian Syndrome1
3RecruitingTreatmentInfertility, Female / Polycystic Ovarian Syndrome1
3TerminatedPreventionRetinopathy of Prematurity (ROP)1
4CompletedTreatmentDiabetic Peripheral Neuropathic Pain (DPN)1
4RecruitingTreatmentInfertilities1
4RecruitingTreatmentPediatric Bipolar Spectrum Disorders1
Not AvailableCompletedTreatmentBipolar Disorder (BD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
ElixirOral
CreamVaginal
SolutionOral
PowderOral
LiquidOral
TabletOral250 mg
TabletOral500 mg
CapsuleOral500 mg
Tablet, extended releaseOral400 mg
TabletOral405 mg
TabletOral400 mg
Tablet, extended releaseOral
InjectionIntramuscular
Liquid; tabletOral
CapsuleOral
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)224.5 ºC'MSDS'
boiling point (°C)291.33 ºC'MSDS'
water solubility0.17 mg/mlUnited States Pharmacopeial Convention.
logP-2.08'MSDS'
Predicted Properties
PropertyValueSource
Water Solubility485.0 mg/mLALOGPS
logP-2.6ALOGPS
logP-3.8ChemAxon
logS0.43ALOGPS
pKa (Strongest Acidic)12.29ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity35.78 m3·mol-1ChemAxon
Polarizability16.14 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)GC-MSsplash10-014j-0953000000-1571a0577293e96091b1
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)GC-MSsplash10-00kb-0932000000-96ddc21293431d746ad2
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-00kb-0942000000-b78076224adf13bade25
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-00kb-0942000000-42c4e40d04b4f306535d
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)GC-MSsplash10-00di-8942000000-f5d7abd38d6ff547a0a9
GC-MS Spectrum - GC-MS (6 TMS)GC-MSsplash10-066r-0975000000-df7304c12b6c9bdb0f76
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-014j-0953000000-1571a0577293e96091b1
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00kb-0932000000-96ddc21293431d746ad2
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00kb-0942000000-b78076224adf13bade25
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00di-8942000000-f5d7abd38d6ff547a0a9
GC-MS Spectrum - GC-MSGC-MSsplash10-066r-0975000000-df7304c12b6c9bdb0f76
MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated)LC-MS/MSsplash10-0a59-3900000000-96084971c3e13a1e7451
MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated)LC-MS/MSsplash10-001i-9000000000-1de17d7f53ca727e6d72
MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated)LC-MS/MSsplash10-0zh9-9000000000-bef910214341056a78aa
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
[1H,1H] 2D NMR Spectrum2D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Alcohols and polyols
Direct Parent
Cyclohexanols
Alternative Parents
Sugar alcohols / Cyclitols and derivatives / Polyols / Hydrocarbon derivatives
Substituents
Cyclohexanol / Sugar alcohol / Cyclitol or derivatives / Cyclic alcohol / Polyol / Hydrocarbon derivative / Aliphatic homomonocyclic compound
Molecular Framework
Aliphatic homomonocyclic compounds
External Descriptors
inositol (CHEBI:17268)

Transporters

Kind
Protein
Organism
Human
Pharmacological action
No
Actions
Substrate
General Function
Prevents intracellular accumulation of high concentrations of myo-inositol (an osmolyte) that result in impairment of cellular function.
Specific Function
Myo-inositol
Gene Name
SLC5A3
Uniprot ID
P53794
Uniprot Name
Sodium/myo-inositol cotransporter
Molecular Weight
79693.065 Da
References
  1. Coady MJ, Wallendorff B, Gagnon DG, Lapointe JY: Identification of a novel Na+/myo-inositol cotransporter. J Biol Chem. 2002 Sep 20;277(38):35219-24. doi: 10.1074/jbc.M204321200. Epub 2002 Jul 19. [PubMed:12133831]

Drug created on June 06, 2017 14:13 / Updated on December 14, 2018 17:14