KEGG   DRUG: Ranelic acidHelp
Entry
D08467                      Drug                                   

Name
Ranelic acid (INN)
Formula
C12H10N2O8S
Exact mass
342.0158
Mol weight
342.2814
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Activity
Osteoporosis agent
Structure map
Osteoporosis drugs
Other DBs
CAS: 
135459-90-4
PubChem: 
ChEMBL: 
LigandBox: 
LinkDB All DBs
KCF data Show

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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