KEGG   DRUG: Ibandronate sodium
Entry
D04486                      Drug                                   
Name
Ibandronate sodium (USAN);
Ibandronate sodium hydrate (JAN);
Ibandronate sodium monohydrate;
Bondronat (TN);
Boniva (TN);
Bonviva (TN)
Product
  Generic
IBANDRONATE SODIUM (Accord Healthcare), IBANDRONATE SODIUM (Alvogen), IBANDRONATE SODIUM (Apotex Corp), IBANDRONATE SODIUM (Apotex Corp.), IBANDRONATE SODIUM (AuroMedics Pharma LLC), IBANDRONATE SODIUM (Aurobindo Pharma Limited), IBANDRONATE SODIUM (Bionpharma), IBANDRONATE SODIUM (Dr. Reddy's Laboratories Limited), IBANDRONATE SODIUM (Golden State Medical Supply), IBANDRONATE SODIUM (Macleods Pharmaceuticals Limited), IBANDRONATE SODIUM (Mylan Institutional LLC)
Formula
C9H22NO7P2. Na. H2O
Exact mass
359.0875
Mol weight
359.23
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
Therapeutic category: 3999
ATC code: M05BA06
Chemical structure group: DG00785
Product (DG00785): D04486<JP/US>
Efficacy
Antiresorptive, Osteoporosis agent, Farnesylpyrophosphate synthetase inhibitor
  Disease
Osteoporosis [DS:H01593]
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
     M05BA06 Ibandronic acid
      D04486  Ibandronate sodium (USAN) <JP/US>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Bisphosphonates
   Ibandronate
    D04486  Ibandronate sodium (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D04486  Ibandronate sodium (USAN); Ibandronate sodium hydrate (JAN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00785  Ibandronic acid
     D04486  Ibandronate sodium
Drug classes [BR:br08332]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D04486  Ibandronate sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D04486  Ibandronate sodium (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04486
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04486
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04486
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04486
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00785  Ibandronic acid
Other DBs
CAS: 138926-19-9
PubChem: 47206334
LigandBox: D04486
LinkDB
KCF data

ATOM        21
            1   P1b P    38.0708  -27.0852
            2   O1c O    38.0708  -25.6793
            3   O1c O    36.6649  -27.0852
            4   O1c O    38.0708  -28.4911
            5   C1d C    39.4766  -27.0852
            6   P1b P    40.8825  -27.0852
            7   C1b C    39.4766  -25.6793
            8   O1a O    39.4766  -28.4911
            9   O1c O    42.2884  -27.0852 #-
            10  O1c O    40.8825  -25.6793
            11  O1c O    40.8825  -28.4911
            12  C1b C    40.6942  -24.9763
            13  N1c N    40.6943  -23.5706
            14  C1b C    41.8949  -22.8773
            15  C1a C    39.4598  -22.8577
            16  C1b C    43.0870  -23.5656
            17  C1b C    44.2834  -22.8747
            18  C1b C    45.4777  -23.5643
            19  C1a C    46.6730  -22.8741
            20  Z   Na   44.6082  -27.0149 #+
            21  O0  O    51.6600  -26.3200
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     5   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1

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