KEGG   DRUG: Sodium risedronate hydrate
Entry
D03234                      Drug                                   
Name
Sodium risedronate hydrate (JP18);
Sodium risedronate hemipentahydrate;
Actonel (TN)
Product
  Generic
Formula
(C7H10NO7P2. Na)2. 5H2O
Exact mass
700.0189
Mol weight
700.2646
Structure
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
Therapeutic category: 3999
ATC code: M05BA07
Chemical structure group: DG00786
Product (DG00786): D00942<US> D03234<JP/US> D11570<US>
Efficacy
Antiresorptive, Osteoporosis agent, Farnesylpyrophosphate synthetase inhibitor
  Disease
Osteoporosis [DS:H01593]
Glucocorticoid-induced osteoporosis [DS:H01709]
Paget's disease of bone [DS:H00437]
Comment
Bisphosphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Interaction
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
    M05BA Bisphosphonates
     M05BA07 Risedronic acid
      D03234  Sodium risedronate hydrate (JP18) <JP/US>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Bisphosphonates
   Risedronate
    D03234  Sodium risedronate hydrate (JP18)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D03234  Sodium risedronate hydrate (JP18)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00786  Risedronic acid
     D03234  Sodium risedronate hydrate
Drug classes [BR:br08332]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D03234  Sodium risedronate hydrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D03234  Sodium risedronate hydrate (JP18) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03234  Sodium risedronate hydrate
  D03234  Sodium risedronate tablets
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D03234
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00786  Risedronic acid
Other DBs
PubChem: 17397387
LigandBox: D03234
LinkDB
KCF data

ATOM        41
            1   O0  O    32.9000  -23.7300
            2   Z   Na   27.0200  -25.2000 #+
            3   C1d C    22.9600  -23.8700
            4   P1b P    24.1500  -24.5000
            5   P1b P    21.7700  -24.5000
            6   C1b C    22.9600  -22.5400
            7   C8y C    24.1500  -21.8400
            8   C8x C    25.2700  -22.5400
            9   N5x N    26.4600  -21.8400
            10  C8x C    26.4600  -20.4400
            11  C8x C    25.2700  -19.7400
            12  C8x C    24.1500  -20.4400
            13  O1c O    20.5800  -23.8700
            14  O1c O    21.7700  -25.9000
            15  O1c O    20.2300  -25.4800
            16  O1c O    25.2700  -23.8700
            17  O1c O    24.1500  -25.9000
            18  O1c O    25.2700  -25.2000 #-
            19  O1a O    22.9600  -25.2700
            20  O0  O    32.9000  -23.7300
            21  O0  O    32.9000  -23.7300
            22  O0  O    32.9000  -23.7300
            23  O0  O    32.9000  -23.7300
            24  Z   Na   27.0200  -25.2000 #+
            25  C1d C    22.9600  -23.8700
            26  P1b P    24.1500  -24.5000
            27  O1c O    25.2700  -23.8700
            28  O1c O    24.1500  -25.9000
            29  O1c O    25.2700  -25.2000 #-
            30  P1b P    21.7700  -24.5000
            31  O1c O    20.5800  -23.8700
            32  O1c O    21.7700  -25.9000
            33  O1c O    20.2300  -25.4800
            34  C1b C    22.9600  -22.5400
            35  C8y C    24.1500  -21.8400
            36  C8x C    25.2700  -22.5400
            37  N5x N    26.4600  -21.8400
            38  C8x C    26.4600  -20.4400
            39  C8x C    25.2700  -19.7400
            40  C8x C    24.1500  -20.4400
            41  O1a O    22.9600  -25.2700
BOND        34
            1     3   4 1
            2     3   5 1
            3     3   6 1
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10    7  12 1
            11    5  13 2
            12    5  14 1
            13    5  15 1
            14    4  16 2
            15    4  17 1
            16    4  18 1
            17    3  19 1
            18   25  26 1
            19   25  30 1
            20   25  34 1
            21   34  35 1
            22   35  36 2
            23   36  37 1
            24   37  38 2
            25   38  39 1
            26   39  40 2
            27   35  40 1
            28   30  31 2
            29   30  32 1
            30   30  33 1
            31   26  27 2
            32   26  28 1
            33   26  29 1
            34   25  41 1
BRACKET     1    30.8000  -24.7100   30.8000  -22.8200
            1    33.5300  -22.8200   33.5300  -24.7100
            1  5
 ORIGINAL  1    1
 REPEAT    1   20  21  22  23
            2    18.4800  -27.8600   18.4800  -19.1800
            2    28.9100  -19.1800   28.9100  -27.8600
            2  2
 ORIGINAL  2    2   3   4  16  17  18   5  13  14  15   6   7   8   9  10  11
            2   12  19
 REPEAT    2   24  25  26  27  28  29  30  31  32  33  34  35  36  37  38  39
            2   40  41

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KEGG   DRUG: Risedronic acid
Entry
D08484                      Drug                                   
Name
Risedronic acid (INN);
Ridron (TN)
Formula
C7H11NO7P2
Exact mass
283.0011
Mol weight
283.1123
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
Same as: C08233
ATC code: M05BA07
Chemical structure group: DG00786
Product (DG00786): D00942<US> D03234<JP/US> D11570<US>
Efficacy
Antiresorptive, Farnesylpyrophosphate synthetase inhibitor
Comment
Bisphosphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Interaction
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
    M05BA Bisphosphonates
     M05BA07 Risedronic acid
      D08484  Risedronic acid (INN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00786  Risedronic acid
     D08484  Risedronic acid
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D08484  Risedronic acid (INN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00786  Risedronic acid
Other DBs
CAS: 105462-24-6
PubChem: 96025170
ChEBI: 8869
PDB-CCD: RIS[PDBj]
LigandBox: D08484
NIKKAJI: J476.065D
LinkDB
KCF data

ATOM        17
            1   C1d C    23.2181  -23.8391
            2   P1b P    24.3996  -24.5341
            3   P1b P    22.0366  -24.5341
            4   C1b C    23.2181  -22.5186
            5   C8y C    24.3996  -21.8236
            6   C8x C    25.5811  -22.5186
            7   N5x N    26.7626  -21.8236
            8   C8x C    26.7626  -20.4337
            9   C8x C    25.5811  -19.7387
            10  C8x C    24.3996  -20.4337
            11  O1c O    20.8552  -23.8391
            12  O1c O    22.0366  -25.9241
            13  O1c O    20.5077  -25.5071
            14  O1c O    25.5811  -23.8391
            15  O1c O    24.3996  -25.9241
            16  O1c O    25.5811  -25.2291
            17  O1a O    23.2181  -25.2391
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    5  10 1
            11    3  11 2
            12    3  12 1
            13    3  13 1
            14    2  14 2
            15    2  15 1
            16    2  16 1
            17    1  17 1

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KEGG   DRUG: Risedronate sodium
Entry
D00942                      Drug                                   
Name
Risedronate sodium (USP);
Actonel (TN)
Product
  Generic
Formula
C7H10NO7P2. Na
Exact mass
304.983
Mol weight
305.0941
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
ATC code: M05BA07
Chemical structure group: DG00786
Product (DG00786): D00942<US> D03234<JP/US> D11570<US>
Efficacy
Antiresorptive, Osteoporosis agent, Farnesylpyrophosphate synthetase inhibitor
  Disease
Osteoporosis [DS:H01593]
Glucocorticoid-induced osteoporosis [DS:H01709]
Paget's disease of bone [DS:H00437]
Comment
Bisphosphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Interaction
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
    M05BA Bisphosphonates
     M05BA07 Risedronic acid
      D00942  Risedronate sodium (USP) <US>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Bisphosphonates
   Risedronate
    D00942  Risedronate sodium (USP)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00786  Risedronic acid
     D00942  Risedronate sodium
Drug classes [BR:br08332]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00942  Risedronate sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D00942  Risedronate sodium (USP) <US>
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00786  Risedronic acid
Other DBs
CAS: 115436-72-1
PubChem: 7848005
ChEBI: 8868
LigandBox: D00942
NIKKAJI: J1.208.205C
LinkDB
KCF data

ATOM        18
            1   Z   Na   27.2473  -25.1833 #+
            2   C1d C    23.2400  -23.8700
            3   P1b P    24.4300  -24.5000
            4   P1b P    22.0500  -24.5000
            5   C1b C    23.2400  -22.5400
            6   C8y C    24.4300  -21.8400
            7   C8x C    25.5500  -22.5400
            8   N5x N    26.7400  -21.8400
            9   C8x C    26.7400  -20.4400
            10  C8x C    25.5500  -19.7400
            11  C8x C    24.4300  -20.4400
            12  O1c O    20.8600  -23.8700
            13  O1c O    22.0500  -25.9000
            14  O1c O    20.5100  -25.4800
            15  O1c O    25.5500  -23.8700
            16  O1c O    24.4300  -25.9000
            17  O1c O    25.5500  -25.2000 #-
            18  O1a O    23.2400  -25.2700
BOND        17
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     5   6 1
            5     6   7 2
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10    6  11 1
            11    4  12 2
            12    4  13 1
            13    4  14 1
            14    3  15 2
            15    3  16 1
            16    3  17 1
            17    2  18 1

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