KEGG   COMPOUND: C07523Help
Entry
C07523                      Compound                               

Name
Propofol;
2,6-Diisopropylphenol
Formula
C12H18O
Exact mass
178.1358
Mol weight
178.2707
Structure
Mol fileKCF fileDB search
Remark
Same as: D00549
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AX Other general anesthetics
     N01AX10 Propofol
      D00549  Propofol (JAN/USAN/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   111  General anesthetics
    1119  Others
     D00549  Propofol (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00549  Propofol (JAN/USAN/INN) <JP/US>
Prodrugs [br08324.html]
 D00549
BRITE hierarchy
Other DBs
CAS: 2078-54-8
PubChem: 9726
ChEBI: 44915
ChEMBL: CHEMBL526
PDB-CCD: PFL[PDBj]
NIKKAJI: J102.606B
KCF data Show

ATOM        13
            1   C8y C    24.1226  -18.3979
            2   C8y C    25.3400  -17.6989
            3   C1c C    22.9112  -17.6989
            4   C8x C    24.1226  -19.7958
            5   C8y C    26.5514  -18.3979
            6   O1a O    25.3457  -16.3010
            7   C1a C    22.9112  -16.3010
            8   C1a C    21.6996  -18.3979
            9   C8x C    25.3400  -20.5005
            10  C1c C    27.7688  -17.6989
            11  C8x C    26.5514  -19.7958
            12  C1a C    28.9804  -18.3979
            13  C1a C    27.7688  -16.3010
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11   10  12 1
            12   10  13 1
            13    9  11 2

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