KEGG   COMPOUND: C07834Help
Entry
C07834                      Compound                               

Name
Paraldehyde
Formula
C6H12O3
Exact mass
132.0786
Mol weight
132.1577
Structure
Mol fileKCF fileDB search
Remark
Same as: D00705
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CC Aldehydes and derivatives
     N05CC05 Paraldehyde
      D00705  Paraldehyde (USP)
BRITE hierarchy
Other DBs
CAS: 123-63-7
PubChem: 10036
ChEBI: 27909
ChEMBL: CHEMBL1410743
NIKKAJI: J5.543C
KCF data Show

ATOM        9
            1   C1y C    25.0658  -20.7879
            2   O2x O    23.8492  -20.0919
            3   O2x O    26.2708  -20.0919
            4   C1a C    25.0542  -22.1860
            5   C1y C    23.8492  -18.6940
            6   C1y C    26.2708  -18.6940
            7   O2x O    25.0658  -17.9862
            8   C1a C    22.6326  -17.9862
            9   C1a C    27.4757  -17.9804
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6   7 1

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