KEGG   COMPOUND: C06899Help
Entry
C06899                      Compound                               

Name
Chloral hydrate
Formula
C2H3Cl3O2
Exact mass
163.9199
Mol weight
165.403
Structure
Mol fileKCF fileDB search
Remark
Same as: D00265
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
1.1.1.1         1.2.1.5
Brite
Carcinogens [BR:br08008]
 Group 2A: Probably carcinogenic to humans
  Compounds
   C06899  Chloral hydrate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CC Aldehydes and derivatives
     N05CC01 Chloral hydrate
      D00265  Chloral hydrate (JP17/USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   112  Hypnotics and sedatives, anxiolytics
    1123  Chloral hydrates
     D00265  Chloral hydrate (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00265  Chloral hydrate
BRITE hierarchy
Other DBs
CAS: 302-17-0
PubChem: 9116
ChEBI: 28142
ChEMBL: CHEMBL455917
NIKKAJI: J1.517B
LinkDB All DBs
KCF data Show

ATOM        7
            1   C1c C    26.0402  -15.9603
            2   O1a O    25.3402  -14.7478
            3   O1a O    25.3402  -17.1727
            4   C1d C    27.4402  -15.9603
            5   X   Cl   28.1402  -17.1727
            6   X   Cl   28.1402  -14.7478
            7   X   Cl   28.8402  -15.9603
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     4   5 1
            5     4   6 1
            6     4   7 1

» Japanese version

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