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
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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Ontology (1)   
   KEGG BRITE (1)   
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (2)   
   KEGG DRUG (1)   
   CHEMBL (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
Chemical reaction (5)   
   KEGG ENZYME (2)   
   KEGG REACTION (3)   
Gene (10407)   
   KEGG GENES (10407)   
All databases (10421)   

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