KEGG   DRUG: InositolHelp
Entry
D08079                      Drug                                   

Name
Inositol (USAN);
Inosital (TN)
Formula
C6H12O6
Exact mass
180.0634
Mol weight
180.1559
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00137
ATC code: A11HA07
Efficacy
Supplement (vitamin B)
Comment
To increase survival and prevent the need for surgical intervention in late stage retinopathy of prematurity (ROP)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11H OTHER PLAIN VITAMIN PREPARATIONS
    A11HA Other plain vitamin preparations
     A11HA07 Inositol
      D08079  Inositol (USAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Inositol
    D08079  Inositol (USAN)
Pharmaceutical additives in Japan [BR:br08316]
 Stabilizing agent
  D08079  [001062] Inositol
 Diluting agent
  D08079  [001062] Inositol
 Soothing agent
  D08079  [001062] Inositol
BRITE hierarchy
Other DBs
CAS: 87-89-8
PubChem: 96024769
ChEBI: 17268
ChEMBL: CHEMBL1222251
PDB-CCD: INS[PDBj]
LigandBox: D08079
NIKKAJI: J4.282J
LinkDB All DBs
KCF data Show

ATOM        12
            1   C1y C    23.1000  -17.2200
            2   C1y C    24.2200  -16.5200
            3   C1y C    23.1000  -18.6200
            4   O1a O    21.7000  -16.5900
            5   C1y C    25.4800  -17.2200
            6   O1a O    24.2200  -15.1900
            7   C1y C    24.2200  -19.3200
            8   O1a O    21.7700  -19.3200
            9   C1y C    25.4800  -18.6200
            10  O1a O    26.6700  -16.5200
            11  O1a O    24.2200  -20.6500
            12  O1a O    26.6000  -19.3200
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Up
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Up
            11    9  12 1 #Down
            12    7   9 1

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