KEGG   COMPOUND: C07515
Entry
C07515                      Compound                               
Name
Halothane
Formula
C2HBrClF3
Exact mass
195.8902
Mol weight
197.38
Structure
Remark
Same as: D00542
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AB Halogenated hydrocarbons
     N01AB01 Halothane
      D00542  Halothane (JP18/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG02027  General anesthetics
    DG02028  Inhalational anaesthetics
     DG01994  Halogenated hydrocarbons
      D00542  Halothane
 Metabolizing enzyme substrate
  DG02855  CYP2E1 substrate
   D00542  Halothane
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00542  Halothane
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00542  Halothane
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00542
Other DBs
CAS: 151-67-7
PubChem: 9718
ChEBI: 5615
NIKKAJI: J2.555K
LinkDB
KCF data

ATOM        7
            1   C1d C    23.0008  -15.7383
            2   C1c C    24.2141  -16.4383
            3   X   F    21.7934  -16.4383
            4   X   F    23.0008  -14.3384
            5   X   F    22.9951  -17.1442
            6   X   Cl   24.2083  -17.8382
            7   X   Br   25.4275  -15.7442
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1

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