KEGG   DRUG: AllobarbitalHelp
Entry
D02817                      Drug                                   

Name
Allobarbital (USAN/INN)
Formula
C10H12N2O3
Exact mass
208.0848
Mol weight
208.2139
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
Remark
ATC code: 
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA21 Allobarbital
      D02817  Allobarbital (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
52-43-7
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        15
            1   C1z C    25.6956  -11.8010
            2   C5x C    25.6956  -13.2018
            3   C5x C    24.4817  -11.1006
            4   C1b C    27.0847  -11.8010
            5   C1b C    25.6899  -10.4060
            6   N1x N    24.4817  -13.9079
            7   O5x O    26.9097  -13.9079
            8   N1x N    23.2619  -11.8010
            9   O5x O    24.4817   -9.6998
            10  C2b C    27.7734  -10.5928
            11  C2b C    26.9038   -9.7056
            12  C5x C    23.2619  -13.2018
            13  C2a C    29.1742  -10.5928
            14  C2a C    26.9038   -8.3108
            15  O5x O    22.0480  -13.9079
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12   10  13 2
            13   11  14 2
            14   12  15 2
            15    8  12 1

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