KEGG   DRUG: LunacalcipolHelp
Entry
D09928                      Drug                                   

Name
Lunacalcipol (USAN/INN)
Formula
C28H42O4S
Exact mass
474.2804
Mol weight
474.6957
Structure
Mol fileKCF fileDB search
Class
Other
 DG01607  Vitamin D derivatives
Efficacy
Antihyperparathyroidism
Comment
Calcitriol [CPD:C01673] analog
Treatment of secondary hyperparathyroidism
Interaction
Drug interaction
Other DBs
CAS: 250384-82-8
PubChem: 135626663
ChEMBL: CHEMBL2105705
LigandBox: D09928
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1x C    20.6605  -18.5455
            2   C1x C    20.6605  -19.9404
            3   C2y C    21.9159  -20.6378
            4   C1y C    23.1015  -19.9404
            5   C1z C    23.1015  -18.5455
            6   C1x C    21.9159  -17.8481
            7   C1x C    24.4963  -20.4286
            8   C2x C    25.3332  -19.2430
            9   C2y C    24.4963  -18.1271
            10  C1c C    24.9148  -16.8020
            11  C1b C    26.3096  -16.8020
            12  C1a C    24.1476  -15.6861
            13  C2b C    27.0070  -15.6164
            14  C2b C    28.4018  -15.6164
            15  S4a S    29.0993  -14.4308
            16  C1a C    23.1015  -17.1507
            17  C2b C    21.9159  -22.0326
            18  C2b C    20.6605  -22.7998
            19  C2y C    20.6605  -24.1946
            20  C1x C    19.4749  -24.8920
            21  C1y C    19.4749  -26.2868
            22  C1x C    20.6605  -26.9843
            23  C1y C    21.8461  -26.2868
            24  C2y C    21.8461  -24.8920
            25  C2a C    23.1015  -24.1946
            26  O1a O    18.2893  -26.9843
            27  C1d C    30.4941  -14.4422
            28  C1a C    31.2062  -13.2314
            29  C1a C    31.1768  -15.6471
            30  C1a C    31.8889  -14.4422
            31  O3c O    29.7967  -13.2229
            32  O3c O    27.7044  -14.4308
            33  O1a O    23.0709  -26.9870
BOND        35
            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 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   10  12 1 #Down
            14   11  13 1
            15   13  14 2
            16   14  15 1
            17    5  16 1 #Up
            18    3  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   19  24 1
            27   24  25 2
            28   21  26 1 #Down
            29   15  27 1
            30   27  28 1
            31   27  29 1
            32   27  30 1
            33   15  31 2
            34   15  32 2
            35   23  33 1 #Up

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