KEGG   DRUG: Betamethasone acetate
Entry
D01402                      Drug                                   

Name
Betamethasone acetate (JAN/USP)
Formula
C24H31FO6
Exact mass
434.2105
Mol weight
434.4977
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: A07EA04 C05AA05 D07AC01 D07XC01 H02AB01 R01AD06 R03BA04 S01BA06 S01CB04 S02BA07 S03BA03
Chemical structure group: DG00095
Product (DG00095): D00244<JP> D00972<JP> D01357<JP/US> D01637<JP/US> D02032<JP>
Product (mixture): D04446<JP/US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07E INTESTINAL ANTIINFLAMMATORY AGENTS
    A07EA Corticosteroids acting locally
     A07EA04 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA05 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AC Corticosteroids, potent (group III)
     D07AC01 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XC Corticosteroids, potent, other combinations
     D07XC01 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB01 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD06 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03B OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
    R03BA Glucocorticoids
     R03BA04 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA06 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB04 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA07 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA03 Betamethasone
      D01402  Betamethasone acetate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D01402  Betamethasone acetate (JAN/USP)
Other DBs
CAS: 987-24-6
PubChem: 7848465
ChEBI: 31275
ChEMBL: CHEMBL1200538
DrugBank: DB00443
LigandBox: D01402
NIKKAJI: J7.211G
LinkDB
KCF data

ATOM        31
            1   C2x C    23.2592  -19.7410
            2   C5x C    23.2592  -21.1017
            3   C2x C    24.4375  -21.7820
            4   C2y C    25.6159  -21.1017
            5   C1z C    25.6159  -19.7410
            6   C2x C    24.4375  -19.0607
            7   C1x C    26.7943  -21.7820
            8   C1x C    27.9726  -21.1017
            9   C1y C    27.9726  -19.7410
            10  C1z C    26.7943  -19.0607
            11  C1y C    29.1510  -19.0607
            12  C1z C    29.1510  -17.7000
            13  C1x C    27.9726  -17.0197
            14  C1y C    26.7943  -17.7000
            15  C1x C    31.5077  -19.0607
            16  C1y C    31.5077  -17.7000
            17  C1z C    30.3294  -17.0197
            18  C1a C    25.6159  -18.3803
            19  O1a O    25.6179  -17.0209
            20  C1a C    29.1510  -16.3394
            21  C1a C    32.6736  -17.0268
            22  C5a C    30.3294  -15.3189
            23  X   F    26.7943  -20.4213
            24  O1a O    31.5077  -16.1294
            25  O5x O    22.0809  -21.7820
            26  O5a O    31.5117  -14.6363
            27  C1b C    29.1549  -14.6408
            28  O7a O    27.9950  -15.3107
            29  C7a C    26.7945  -14.6180
            30  C1a C    25.5888  -15.3147
            31  O6a O    26.7943  -13.2301
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    5  18 1 #Up
            22   14  19 1 #Up
            23   12  20 1 #Up
            24   16  21 1 #Up
            25   17  22 1 #Up
            26   10  23 1 #Down
            27   17  24 1 #Down
            28    2  25 2
            29   22  26 2
            30   22  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2

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