KEGG   DRUG: Alendronate sodium
Entry
D00939                      Drug                                   
Name
Alendronate sodium (USP);
Alendronate sodium hydrate (JP18);
Binosto (TN);
Fosamax (TN)
Product
  Generic
Formula
C4H12NO7P2. 3H2O. Na
Exact mass
325.0304
Mol weight
325.1237
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
Therapeutic category: 3999
ATC code: M05BA04
Chemical structure group: DG00783
Product (DG00783): D00939<JP/US>
Product (mixture): D10841<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
     M05BA04 Alendronic acid
      D00939  Alendronate sodium (USP) <JP/US>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Bisphosphonates
   Alendronate
    D00939  Alendronate sodium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D00939  Alendronate sodium (USP); Alendronate sodium hydrate (JP18)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00783  Alendronic acid
     D00939  Alendronate sodium
Drug classes [BR:br08332]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00939  Alendronate sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D00939  Alendronate sodium (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00939  Alendronate sodium hydrate
  D00939  Alendronate sodium tablets
  D00939  Alendronate sodium injection
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00783  Alendronic acid
Other DBs
CAS: 121268-17-5
PubChem: 7848002
ChEBI: 2566
LigandBox: D00939
NIKKAJI: J1.639.609E J2.222.290B
LinkDB
KCF data

ATOM        18
            1   O0  O    29.9425  -25.6767
            2   Z   Na   26.3872  -22.7066 #+
            3   P1b P    22.2600  -24.5000
            4   C1d C    23.5900  -24.5000
            5   C1b C    23.5900  -22.6100
            6   O1a O    23.5900  -25.8300
            7   P1b P    24.9900  -24.5000
            8   O1c O    26.3200  -24.5000 #-
            9   O1c O    20.8600  -24.5000
            10  O1c O    22.2600  -23.1000
            11  O1c O    24.9900  -23.1000
            12  C1b C    24.7800  -21.9800
            13  C1b C    24.7800  -20.5800
            14  N1a N    25.9700  -19.8800
            15  O1c O    22.2600  -25.8300
            16  O1c O    24.9900  -25.8300
            17  O0  O    29.9425  -25.6767
            18  O0  O    29.9425  -25.6767
BOND        13
            1     3   4 1
            2     4   5 1
            3     4   6 1
            4     4   7 1
            5     7   8 1
            6     3   9 1
            7     3  10 2
            8     7  11 2
            9     5  12 1
            10   12  13 1
            11   13  14 1
            12    3  15 1
            13    7  16 1
BRACKET     1    28.2800  -26.7400   28.2800  -24.7800
            1    30.3100  -24.7800   30.3100  -26.7400
            1  3
 ORIGINAL  1    1
 REPEAT    1   17  18

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