KEGG   COMPOUND: C07752Help
Entry
C07752                      Compound                               

Name
Alendronic acid;
Alendronate;
(4-Amino-1-hydroxybutylidene)bisphosphonic acid
Formula
C4H13NO7P2
Exact mass
249.0167
Mol weight
249.096
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
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
      D07119  Alendronic acid (INN)
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Alendronate
   D07119  Alendronic acid (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   farnesyl-diphosphate farnesyltransferase
    Alendronic acid
     D07119  Alendronic acid (INN)
BRITE hierarchy
Other DBs
CAS: 
66376-36-1
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        14
            1   P1b P    22.2600  -24.5000
            2   C1d C    23.5900  -24.5000
            3   C1b C    23.5900  -22.6100
            4   O1a O    23.5900  -25.8300
            5   P1b P    24.9900  -24.5000
            6   O1c O    26.3200  -24.5000
            7   O1c O    20.8600  -24.5000
            8   O1c O    22.2600  -23.1000
            9   O1c O    24.9900  -23.1000
            10  C1b C    24.7800  -21.9800
            11  C1b C    24.7800  -20.5800
            12  N1a N    25.9700  -19.8800
            13  O1c O    22.2600  -25.8300
            14  O1c O    24.9900  -25.8300
BOND        13
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     2   5 1
            5     5   6 1
            6     1   7 1
            7     1   8 2
            8     5   9 2
            9     3  10 1
            10   10  11 1
            11   11  12 1
            12    1  13 1
            13    5  14 1

» Japanese version

DBGET integrated database retrieval system