KEGG   DRUG: Alfaxalone
Entry
D07282                      Drug                                   
Name
Alfaxalone (INN)
Formula
C21H32O3
Exact mass
332.2351
Mol weight
332.477
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG02027  General anesthetics
Remark
ATC code: N01AX05
Efficacy
Anesthetic
Comment
Steroid
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AX Other general anesthetics
     N01AX05 Alfaxalone
      D07282  Alfaxalone (INN)
Animal drugs in Japan [BR:br08331]
 91  Agents affecting nervous system
  911  General anesthetics
   9119  Other general anesthetics
    D07282  Alfaxalone
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG02027  General anesthetics
    D07282  Alfaxalone
Other DBs
CAS: 23930-19-0
PubChem: 51091619
PDB-CCD: EY4[PDBj]
LigandBox: D07282
NIKKAJI: J3.157G
KCF data

ATOM        24
            1   C1z C    21.5680  -19.1368
            2   C1y C    21.5680  -20.5020
            3   C1x C    23.9327  -20.5020
            4   C1x C    23.9327  -19.1368
            5   C1y C    22.7503  -18.4542
            6   C1x C    20.3858  -18.4542
            7   C5x C    19.2034  -19.1368
            8   C1y C    19.2034  -20.5020
            9   C1y C    20.3858  -21.1846
            10  C1z C    18.0211  -21.1846
            11  C1y C    18.0211  -22.5498
            12  C1x C    19.2034  -23.2324
            13  C1x C    20.3858  -22.5498
            14  C1x C    16.8389  -20.5020
            15  C1x C    15.6565  -21.1846
            16  C1y C    15.6565  -22.5498
            17  C1x C    16.8389  -23.2324
            18  C5a C    22.7503  -17.0892
            19  C1a C    21.5680  -17.7716
            20  C1a C    18.0211  -19.8194
            21  O1a O    14.4541  -23.2443
            22  O5x O    18.0029  -18.4434
            23  C1a C    23.9162  -16.4158
            24  O5a O    21.5517  -16.3970
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9   2 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13   9 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   17  11 1
            21    5  18 1 #Up
            22    1  19 1 #Up
            23   10  20 1 #Up
            24   16  21 1 #Down
            25    7  22 2
            26   18  23 1
            27   18  24 2

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Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (8)   

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