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Substance Name: Inositol [USAN:NF]
RN: 87-89-8
UNII: 4L6452S749
InChIKey: CDAISMWEOUEBRE-GPIVLXJGSA-N

Note

  • An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.

Molecular Formula

  • C6-H12-O6

Molecular Weight

  • 180.1548
 

Classification Codes

  • Drug / Therapeutic Agent
  • Growth Substances
  • Micronutrients
  • To Increase Survival and Prevent the Need for Surgical Intervention in Late Stage Retinopathy of Prematurity (ROP)
  • Vitamin B Complex
  • Vitamins

Names and Synonyms

Name of Substance

  • Inositol
  • Inositol [USAN:NF]

MeSH Heading

  • Inositol

Synonyms

  • 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-
  • AI3-16111
  • CCRIS 6745
  • Dambose
  • EINECS 201-781-2
  • i-Inositol
  • Inosital
  • Inositene
  • Inositina
  • Inositol
  • Inositol (VAN)
  • Inositol, i-
  • Inositol, meso-
  • Inositol, myo-
  • Insitolum
  • Iso-inositol
  • Isoinositol
  • Meat sugar
  • meso-Inositol
  • Mesoinosit
  • Mesoinosite
  • Mesoinositol
  • Mesol
  • Mesovit
  • Myoinosite
  • Myoinositol
  • NSC 404118
  • NSC 8101
  • Nucite
  • Phaseomannite
  • Phaseomannitol
  • Scyllite
  • UNII-4L6452S749

Systematic Names

  • Inositol, myo- (8CI)
  • myo-Inositol

Superlist Names

  • cis-1,2,3,5-trans-4,6-Cyclohexanehexol
  • Inositol
  • myo-Inositol

Registry Numbers

CAS Registry Number

  • 87-89-8

FDA UNII

  • 4L6452S749

Other Registry Number

  • 53319-35-0

System Generated Number

  • 0000087898

Structure Descriptors

InChI

1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-

InChIKey

CDAISMWEOUEBRE-GPIVLXJGSA-N

Smiles

[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 10gm/kg (10000mg/kg)   Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.
rat LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-9328,
rat LD50 intravenous > 750mg/kg (750mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-9328,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 225 deg C   EXP
log P (octanol-water) -2.080 (none)   EST
Water Solubility 1.43E+05 mg/L 19 EXP
Vapor Pressure 2.05E-09 mm Hg 25 EST
Henry's Law Constant 3.20E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.25E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.