KEGG   COMPOUND: C08174
Entry
C08174                      Compound                               

Name
Dexamethasone acetate anhydrous
Formula
C24H31FO6
Exact mass
434.2105
Mol weight
434.4977
Structure
Remark
Same as: D07796
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AC Corticosteroids for local oral treatment
     A01AC02 Dexamethasone
      D07796  Dexamethasone 21-acetate
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA09 Dexamethasone
      D07796  Dexamethasone 21-acetate
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB19 Dexamethasone
      D07796  Dexamethasone 21-acetate
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XB Corticosteroids, moderately potent, other combinations
     D07XB05 Dexamethasone
      D07796  Dexamethasone 21-acetate
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA03 Dexamethasone
      D07796  Dexamethasone 21-acetate
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB02 Dexamethasone
      D07796  Dexamethasone 21-acetate
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD03 Dexamethasone
      D07796  Dexamethasone 21-acetate
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA01 Dexamethasone
      D07796  Dexamethasone 21-acetate
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB01 Dexamethasone
      D07796  Dexamethasone 21-acetate
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA06 Dexamethasone
      D07796  Dexamethasone 21-acetate
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA01 Dexamethasone
      D07796  Dexamethasone 21-acetate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07796  Dexamethasone 21-acetate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07796
Other DBs
CAS: 1177-87-3
PubChem: 10374
ChEBI: 4463
ChEMBL: CHEMBL1530428
NIKKAJI: J21.193A
LinkDB
KCF data

ATOM        31
            1   C2x C    23.2352  -17.2420
            2   C5x C    23.2352  -18.5987
            3   C2x C    24.4101  -19.2771
            4   C2y C    25.5850  -18.5987
            5   C1z C    25.5850  -17.2420
            6   C2x C    24.4101  -16.5637
            7   C1x C    26.7600  -19.2771
            8   C1x C    27.9348  -18.5987
            9   C1y C    27.9348  -17.2420
            10  C1z C    26.7600  -16.5637
            11  C1y C    29.1098  -16.5637
            12  C1z C    29.1098  -15.2070
            13  C1x C    27.9348  -14.5287
            14  C1y C    26.7600  -15.2070
            15  C1x C    31.4596  -16.5637
            16  C1y C    31.4596  -15.2070
            17  C1z C    30.2847  -14.5287
            18  C1a C    25.5850  -15.8853
            19  O1a O    25.5870  -14.5299
            20  C1a C    29.1098  -13.8504
            21  C1a C    32.6220  -14.5358
            22  C5a C    30.2847  -12.8329
            23  X   F    26.7600  -17.9203
            24  O1a O    31.4596  -13.6410
            25  O5x O    22.0604  -19.2771
            26  O5a O    31.4636  -12.1523
            27  C1b C    29.1137  -12.1568
            28  O7a O    27.9572  -12.8247
            29  C7a C    26.7620  -12.1344
            30  C1a C    25.5400  -12.8400
            31  O6a O    26.7628  -10.7061
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 #Down
            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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