KEGG   COMPOUND: C08179Help
Entry
C08179                      Compound                               

Name
Methylprednisolone acetate;
6alpha-Methylprednisolone 21-acetate;
11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate;
M-Predrol
Formula
C24H32O6
Exact mass
416.2199
Mol weight
416.5073
Structure
Mol fileKCF fileDB search
Remark
Same as: D00979
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA01 Methylprednisolone
      D00979  Methylprednisolone acetate (JAN/USP) <JP/US>
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA02 Methylprednisolone
      D00979  Methylprednisolone acetate (JAN/USP) <JP/US>
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB04 Methylprednisolone
      D00979  Methylprednisolone acetate (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Adrenal)
  Methylprednisolone
   D00979  Methylprednisolone acetate (JAN/USP)
 Inflammatory Bowel Disease Agents
  Glucocorticoids
   Methylprednisolone
    D00979  Methylprednisolone acetate (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   245  Adrenal hormone preparations
    2456  Prednisolones
     D00979  Methylprednisolone acetate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D00979  Methylprednisolone acetate (JAN/USP) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00979
BRITE hierarchy
Other DBs
CAS: 53-36-1
PubChem: 10379
ChEBI: 6889
ChEMBL: CHEMBL1364144 CHEMBL1474440 CHEMBL66870
NIKKAJI: J4.144K
LinkDB All DBs
KCF data Show

ATOM        30
            1   C2x C    26.6700  -18.6900
            2   C5x C    26.6700  -20.0900
            3   C2x C    27.8600  -20.7900
            4   C2y C    29.1200  -20.0900
            5   C1z C    29.1200  -18.6900
            6   C2x C    27.8600  -17.9900
            7   C1y C    30.3100  -20.7900
            8   C1x C    31.5000  -20.0900
            9   C1y C    31.5000  -18.6900
            10  C1y C    30.3100  -17.9900
            11  C1y C    32.7600  -17.9900
            12  C1z C    32.7600  -16.5900
            13  C1x C    31.5000  -15.8900
            14  C1y C    30.3100  -16.5900
            15  C1x C    35.1400  -17.9900
            16  C1x C    35.1400  -16.5900
            17  C1z C    33.9500  -15.8900
            18  O5x O    25.4800  -20.7900
            19  C1a C    29.1200  -17.2900
            20  O1a O    29.1200  -15.8900
            21  C1a C    32.7600  -15.1900
            22  C5a C    33.9500  -14.2100
            23  C1a C    30.3100  -22.1900
            24  O1a O    35.1400  -15.1900
            25  C1b C    35.1400  -13.5100
            26  O5a O    32.7600  -13.5100
            27  O7a O    36.3300  -14.2100
            28  C7a C    37.5200  -13.5100
            29  C1a C    38.7100  -14.2100
            30  O6a O    37.5200  -12.1100
BOND        33
            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    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26    7  23 1 #Down
            27   17  24 1 #Down
            28   22  25 1
            29   22  26 2
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 2

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