KEGG   DRUG: Strontium ranelate
Entry
D08468                      Drug                                   
Name
Strontium ranelate;
Ranelic acid strontium salt;
Protelos (TN)
Formula
C12H10N2O8S. 2Sr
Exact mass
517.827
Mol weight
517.5214
Structure
Simcomp
Remark
ATC code: M05BX03
Efficacy
Osteoporosis agent
Structure map
map07047  Osteoporosis drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M05 DRUGS FOR TREATMENT OF BONE DISEASES
   M05B DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
    M05BX Other drugs affecting bone structure and mineralization
     M05BX03 Strontium ranelate
      D08468  Strontium ranelate
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08468
Other DBs
CAS: 135459-87-9
PubChem: 96025154
LigandBox: D08468
LinkDB
KCF data

ATOM        25
            1   Z   Sr   34.8600  -19.3900
            2   C8y C    28.5600  -18.6200
            3   C8y C    28.1400  -19.9500
            4   C8y C    26.7400  -19.9500
            5   C8y C    26.3200  -18.6200
            6   S2x S    27.4400  -17.7800
            7   C3b C    25.9000  -21.0700
            8   N3a N    25.1300  -22.2600
            9   C6a C    29.7500  -17.9200
            10  O6a O    30.9400  -18.6200
            11  O6a O    29.7500  -16.5200
            12  C1b C    28.9800  -21.0700
            13  C6a C    30.3800  -21.0700
            14  O6a O    31.1500  -22.2600
            15  O6a O    31.0100  -19.8100
            16  N1c N    25.1300  -17.9200
            17  C1b C    23.9400  -18.6200
            18  C1b C    25.1300  -16.5200
            19  C6a C    26.3200  -15.8200
            20  O6a O    27.5100  -16.4500
            21  O6a O    26.3200  -14.4200
            22  C6a C    22.6800  -17.9200
            23  O6a O    21.5600  -18.6200
            24  O6a O    22.6800  -16.5200
            25  Z   Sr   34.8600  -19.3900
BOND        23
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     2   6 1
            6     4   7 1
            7     7   8 3
            8     9  10 1
            9     9   2 1
            10    9  11 2
            11    3  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 2
            15   16   5 1
            16   16  17 1
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21   17  22 1
            22   22  23 1
            23   22  24 2
BRACKET     1    34.3000  -20.0900   34.3000  -18.3400
            1    35.8400  -18.3400   35.8400  -20.0900
            1  2
 ORIGINAL  1    1
 REPEAT    1   25

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KEGG   DRUG: Ranelic acid
Entry
D08467                      Drug                                   
Name
Ranelic acid (INN)
Formula
C12H10N2O8S
Exact mass
342.0158
Mol weight
342.2814
Structure
Simcomp
Efficacy
Osteoporosis agent
Structure map
map07047  Osteoporosis drugs
Other DBs
CAS: 135459-90-4
PubChem: 96025153
LigandBox: D08467
LinkDB
KCF data

ATOM        23
            1   C8y C    28.5600  -18.2700
            2   C8y C    28.1400  -19.6000
            3   C8y C    26.7400  -19.6000
            4   C8y C    26.3200  -18.2700
            5   S2x S    27.4400  -17.4300
            6   C3b C    25.9000  -20.7200
            7   N3a N    25.1300  -21.9100
            8   C6a C    29.7500  -17.5700
            9   O6a O    30.9400  -18.2700
            10  O6a O    29.7500  -16.1700
            11  C1b C    28.9800  -20.7200
            12  C6a C    30.3800  -20.7200
            13  O6a O    31.1500  -21.9100
            14  O6a O    31.0100  -19.4600
            15  N1c N    25.1300  -17.5700
            16  C1b C    23.9400  -18.2700
            17  C1b C    25.1300  -16.1700
            18  C6a C    26.3424  -15.4700
            19  O6a O    27.5379  -16.1604
            20  O6a O    26.3425  -14.0702
            21  C6a C    22.7219  -17.5799
            22  O6a O    21.5405  -18.2750
            23  O6a O    22.7829  -16.1704
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     3   6 1
            7     6   7 3
            8     8   9 1
            9     8   1 1
            10    8  10 2
            11    2  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2
            15   15   4 1
            16   15  16 1
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 2
            21   16  21 1
            22   21  22 1
            23   21  23 2

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