KEGG   COMPOUND: C01845
Entry
C01845                      Compound                               
Name
Propan-2-ol;
2-Propanol;
Isopropanol;
Isopropyl alcohol
Formula
C3H8O
Exact mass
60.0575
Mol weight
60.095
Structure
Remark
Same as: D00137
Reaction
Pathway
map00650  Butanoate metabolism
map01100  Metabolic pathways
Enzyme
1.1.1.80        1.1.1.-         1.14.13.227
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AX Other antiseptics and disinfectants
     D08AX05 Isopropanol
      D00137  Isopropyl alcohol (USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   261  Antimicrobial agents
    2615  Alcohols
     D00137  Isopropyl alcohol (USP); Isopropanol (JP18)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  54 Disinfectants (incl. special bandages)
   D00137  Isopropyl alcohol (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Isopropanol
    D00137  Isopropyl alcohol (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00137  Isopropanol
Other DBs
CAS: 67-63-0
PubChem: 4963
ChEBI: 17824
KNApSAcK: C00048438
PDB-CCD: IPA[PDBj]
3DMET: B00359
NIKKAJI: J1.411G
KCF data

ATOM        4
            1   C1c C    22.1200  -16.5200
            2   C1a C    20.9083  -17.2226
            3   C1a C    22.1200  -15.1214
            4   O1a O    23.3317  -17.2926
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 1

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