KEGG   DRUG: Zoledronate disodium
Entry
D06378                      Drug                                   

Name
Zoledronate disodium (USAN);
Zoledronate disodium hydrate
Formula
C5H8N2O7P2. 4H2O. 2Na
Exact mass
388.0025
Mol weight
388.1144
Structure
Simcomp
Class
Other
 DG01600  Bisphosphonate
Remark
ATC code: M05BA08
Chemical structure group: DG00787
Product (DG00787): D01968<JP/US>
Efficacy
Antiresorptive, Osteoporosis agent, 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
     M05BA08 Zoledronic acid
      D06378  Zoledronate disodium (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D06378  Zoledronate disodium (USAN)
Other DBs
CAS: 165800-07-7
PubChem: 47208035
ChEMBL: CHEMBL2103912
DrugBank: DB00399
LigandBox: D06378
LinkDB
KCF data

ATOM        22
            1   O0  O    29.7532  -21.9474
            2   Z   Na   17.3489  -25.3385 #+
            3   Z   Na   25.9710  -25.1586 #+
            4   C1d C    22.1900  -23.7300
            5   P1b P    23.4500  -24.3600
            6   P1b P    21.0700  -24.3600
            7   C1b C    22.1900  -22.4000
            8   O1c O    19.8800  -23.7300
            9   O1c O    21.0700  -25.7600
            10  O1c O    19.5300  -25.3400 #-
            11  O1c O    24.5700  -23.7300
            12  O1c O    23.4500  -25.7600
            13  O1c O    24.7100  -25.1300 #-
            14  O1a O    22.1900  -25.1300
            15  N4y N    23.3800  -21.7000
            16  C8x C    24.7100  -22.1200
            17  N5x N    25.5500  -21.0000
            18  C8x C    24.7100  -19.8800
            19  C8x C    23.3800  -20.3000
            20  O0  O    29.7532  -21.9474
            21  O0  O    29.7532  -21.9474
            22  O0  O    29.7532  -21.9474
BOND        16
            1     4   5 1
            2     4   6 1
            3     4   7 1
            4     6   8 2
            5     6   9 1
            6     6  10 1
            7     5  11 2
            8     5  12 1
            9     5  13 1
            10    4  14 1
            11    7  15 1
            12   15  16 1
            13   16  17 2
            14   17  18 1
            15   18  19 2
            16   15  19 1
BRACKET     1    27.3700  -23.0300   27.3700  -21.0000
            1    30.5200  -21.0000   30.5200  -23.0300
            1  4
 ORIGINAL  1    1
 REPEAT    1   20  21  22

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