KEGG   COMPOUND: C08211Help
Entry
C08211                      Compound                               

Name
Doxercalciferol;
1alpha-Hydroxyergocalciferol
Formula
C28H44O2
Exact mass
412.3341
Mol weight
412.6478
Structure
Mol fileKCF fileDB search
Remark
Same as: D01009
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H05 CALCIUM HOMEOSTASIS
   H05B ANTI-PARATHYROID AGENTS
    H05BX Other anti-parathyroid agents
     H05BX03 Doxercalciferol
      D01009  Doxercalciferol (USAN/INN) <US>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Vitamin D-related Agents
   Doxercalciferol
    D01009  Doxercalciferol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D01009  Doxercalciferol (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01009
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01009
BRITE hierarchy
Other DBs
CAS: 54573-75-0
PubChem: 10410
ChEBI: 4712
ChEMBL: CHEMBL1200810
PDB-CCD: V2H[PDBj]
NIKKAJI: J527.612H
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1z C    30.1125  -15.3936
            2   C1y C    30.1066  -16.7611
            3   C1y C    31.2988  -14.7157
            4   C1x C    28.9262  -14.7098
            5   C1a C    30.1008  -14.1429
            6   C2y C    28.9262  -17.4506
            7   C1x C    32.4791  -16.7026
            8   C1x C    32.4851  -15.4053
            9   C1c C    31.3045  -13.3423
            10  C1x C    27.7457  -15.3936
            11  C2b C    28.9320  -18.8179
            12  C1x C    27.7457  -16.7611
            13  C2b C    32.4968  -12.6645
            14  C1a C    30.1008  -12.6353
            15  C2b C    27.7516  -19.5075
            16  C2b C    33.6831  -13.3540
            17  C2y C    26.5594  -18.8239
            18  C1c C    34.8693  -12.6761
            19  C2y C    26.5594  -17.4622
            20  C1x C    25.3731  -19.5192
            21  C1c C    36.0557  -13.3657
            22  C1a C    34.8751  -11.2795
            23  C1y C    25.3673  -16.7785
            24  C2a C    26.4951  -16.1240
            25  C1y C    24.1927  -18.8355
            26  C1a C    37.2420  -12.6821
            27  C1a C    36.0615  -14.7740
            28  C1x C    24.1868  -17.4681
            29  O1a O    25.3556  -15.3760
            30  O1a O    22.9830  -19.5309
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 2
            11    6  12 1
            12    9  13 1
            13    9  14 1 #Down
            14   11  15 1
            15   13  16 2
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19   17  20 1
            20   18  21 1
            21   18  22 1 #Down
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   21  26 1
            26   21  27 1
            27   23  28 1
            28   23  29 1 #Down
            29   25  30 1 #Up
            30    7   8 1
            31   10  12 1
            32   25  28 1

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