KEGG   COMPOUND: C12961
Entry
C12961                      Compound                               
Name
Dexamethazone metasulfobenzoate sodium;
Dexamethasone metasulfobenzoate sodium
Formula
C29H32FO9S. Na
Exact mass
598.1649
Mol weight
598.6122
Structure
Remark
Same as: D01510
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
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA09 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB19 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XB Corticosteroids, moderately potent, other combinations
     D07XB05 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA03 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB02 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD03 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA01 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB01 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA06 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA01 Dexamethasone
      D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Glucocorticoids, Ophthalmic
    Dexamethasone
     D01510  Dexamethasone metasulfobenzoate sodium (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1315  Ophthalmic cortisones
     D01510  Dexamethasone metasulfobenzoate sodium (JAN)
   132  Otic and nasal agents
    1329  Others
     D01510  Dexamethasone metasulfobenzoate sodium (JAN)
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  961  Hormone preparations (except agents for breeding and external use)
   9612  Adrenal hormone preparations
    C12961  Dexamethasone metasulfobenzoate sodium
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG02068  Glucocorticoid
    DG00011  Dexamethasone
     D01510  Dexamethasone metasulfobenzoate sodium
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00011  Dexamethasone
     D01510  Dexamethasone metasulfobenzoate sodium
 Metabolizing enzyme inducer
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    DG00011  Dexamethasone
     D01510  Dexamethasone metasulfobenzoate sodium
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01955  Corticosteroid
   D01510  Dexamethasone metasulfobenzoate sodium
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D01510  Dexamethasone metasulfobenzoate sodium (JAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01510
Other DBs
CAS: 3936-02-5
PubChem: 583350
LinkDB
KCF data

ATOM        41
            1   Z   Na   33.8948  -15.4798 #+
            2   C2x C    17.3067  -22.7195
            3   C5x C    17.3067  -24.0550
            4   C2x C    18.4313  -24.7579
            5   C2y C    19.6263  -24.0550
            6   C1z C    19.6263  -22.7195
            7   C2x C    18.4313  -22.0869
            8   C1x C    20.7509  -24.7579
            9   C1x C    21.9458  -24.0550
            10  C1y C    21.9458  -22.7195
            11  C1z C    20.7509  -22.0869
            12  C1y C    23.1407  -22.0869
            13  C1z C    23.1407  -20.6812
            14  C1x C    21.9458  -19.9783
            15  C1y C    20.7509  -20.6812
            16  C1x C    25.4602  -22.0869
            17  C1y C    25.4602  -20.6812
            18  C1z C    24.3356  -19.9783
            19  C1a C    19.6263  -21.3840
            20  O1a O    19.6263  -19.9783
            21  C1a C    23.1407  -19.3457
            22  C1a C    26.6551  -19.9783
            23  X   F    20.7509  -23.4224
            24  O1a O    25.3196  -18.9942
            25  O5x O    16.0415  -24.7579
            26  C5a C    24.3356  -18.5725
            27  O5a O    23.0704  -17.8696
            28  C1b C    25.5305  -17.7993
            29  O7a O    26.7957  -18.5022
            30  C7a C    28.0609  -17.7993
            31  C8y C    29.3258  -18.5022
            32  O6a O    28.0606  -16.3936
            33  C8x C    30.5210  -17.7290
            34  C8y C    31.7862  -18.4319
            35  C8x C    29.3261  -19.9080
            36  C8x C    31.7862  -19.8377
            37  C8x C    30.5913  -20.5406
            38  S4a S    32.9811  -17.7290
            39  O1d O    33.6137  -18.9239
            40  O1d O    32.2782  -16.4638
            41  O1d O    34.1760  -17.0262 #-
BOND        44
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 2
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21    6  19 1 #Up
            22   15  20 1 #Up
            23   13  21 1 #Up
            24   17  22 1 #Down
            25   11  23 1 #Down
            26   18  24 1 #Down
            27    3  25 2
            28   18  26 1 #Up
            29   26  27 2
            30   26  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   30  32 2
            35   31  33 2
            36   33  34 1
            37   31  35 1
            38   34  36 2
            39   36  37 1
            40   37  35 2
            41   34  38 1
            42   38  39 2
            43   38  40 2
            44   38  41 1

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