KEGG   DRUG: DoxercalciferolHelp
Entry
D01009                      Drug                                   

Name
Doxercalciferol (INN);
Hectorol (TN)
Product
  Generic
Formula
C28H44O2
Exact mass
412.3341
Mol weight
412.6478
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Other
 DG01607  Vitamin D derivatives
Remark
Same as: 
ATC code: 
Activity
Antihyperparathyroidism
Comment
a pro-hormone vitamin D2 [CPD:C05441] analog
Interaction
Drug interaction
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 (INN)
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Doxercalciferol
   D01009  Doxercalciferol (INN)
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  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: 
ChEBI: 
ChEMBL: 
PDB-CCD: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    15.0500  -21.4900
            2   C1x C    15.0500  -22.8900
            3   C2y C    16.2624  -23.5900
            4   C1y C    17.4749  -22.8900
            5   C1z C    17.4749  -21.4900
            6   C1x C    16.2624  -20.7900
            7   C1x C    18.8064  -23.3226
            8   C1x C    19.6293  -22.1900
            9   C1y C    18.8064  -21.0574
            10  C1a C    17.4749  -20.0900
            11  C2b C    16.2624  -24.9898
            12  C2b C    15.0332  -25.6997
            13  C2y C    15.0334  -27.0899
            14  C1x C    13.8335  -27.7830
            15  C1y C    13.8338  -29.1830
            16  C1x C    15.0464  -29.8827
            17  C1y C    16.2463  -29.1896
            18  C2y C    16.2460  -27.7896
            19  C2a C    17.4536  -27.0921
            20  O1a O    17.4543  -29.8868
            21  O1a O    12.6384  -29.8738
            22  C1c C    19.2375  -19.7306
            23  C2b C    20.6375  -19.7306
            24  C1a C    18.4235  -18.6100
            25  C2b C    21.3366  -18.5199
            26  C1c C    22.7497  -18.5197
            27  C1a C    23.4633  -19.7547
            28  C1c C    23.4365  -17.3299
            29  C1a C    24.8497  -17.3295
            30  C1a C    22.7527  -16.1460
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    5  10 1 #Up
            12    3  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   18  19 2
            22   17  20 1 #Up
            23   15  21 1 #Down
            24    9  22 1
            25   22  23 1
            26   22  24 1 #Down
            27   23  25 2
            28   25  26 1
            29   26  27 1 #Up
            30   26  28 1
            31   28  29 1
            32   28  30 1

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