KEGG   DRUG: Clodronate disodium
Entry
D03544                      Drug                                   
Name
Clodronate disodium (USAN);
Sodium clodronate hydrate (JAN);
Bonefos (TN)
Formula
CH2Cl2O6P2. 4H2O. 2Na
Exact mass
359.8922
Mol weight
360.9172
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
ATC code: M05BA02
Chemical structure group: DG00781
Efficacy
Antiresorptive, Osteoporosis agent
Comment
Bisphosphonate
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
     M05BA02 Clodronic acid
      D03544  Clodronate disodium (USAN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00781  Clodronic acid
     D03544  Clodronate disodium
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00781  Clodronic acid
Other DBs
CAS: 88416-50-6
PubChem: 47205853
LigandBox: D03544
LinkDB
KCF data

ATOM        17
            1   C1d C    16.6881  -12.1805
            2   P1b P    15.7024  -12.1751
            3   P1b P    17.6421  -12.1805
            4   O1c O    15.7024  -13.5267 #-
            5   O1c O    14.2568  -12.1280
            6   O1c O    15.7024  -10.8239
            7   O1c O    17.6315  -13.5267 #-
            8   O1c O    18.9245  -12.1492
            9   O1c O    17.6421  -10.8239
            10  X   Cl   16.6843  -14.3498
            11  X   Cl   16.6920  -10.0804
            12  Z   Na   13.7900  -14.4900 #+
            13  Z   Na   18.9700  -14.4900 #+
            14  O0  O    24.9900  -13.2300
            15  O0  O    24.9900  -13.2300
            16  O0  O    24.9900  -13.2300
            17  O0  O    24.9900  -13.2300
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 2
            9     1  10 1
            10    1  11 1
BRACKET     1    22.7500  -14.2100   22.7500  -12.4600
            1    25.6900  -12.4600   25.6900  -14.2100
            1  4
 ORIGINAL  1   14
 REPEAT    1   15  16  17

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KEGG   DRUG: Clodronic acid
Entry
D03545                      Drug                                   
Name
Clodronic acid (USAN/INN)
Formula
CH4Cl2O6P2
Exact mass
243.886
Mol weight
244.8924
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
ATC code: M05BA02
Chemical structure group: DG00781
Efficacy
Antiresorptive
Comment
Bisphosphonate
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
     M05BA02 Clodronic acid
      D03545  Clodronic acid (USAN/INN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00781  Clodronic acid
     D03545  Clodronic acid
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00781  Clodronic acid
Other DBs
CAS: 10596-23-3
PubChem: 47205854
ChEBI: 110423
LigandBox: D03545
NIKKAJI: J10.448E
LinkDB
KCF data

ATOM        11
            1   C1d C    15.6580  -14.1285
            2   P1b P    14.6959  -14.1232
            3   P1b P    16.5891  -14.1285
            4   O1c O    14.6959  -15.4424
            5   O1c O    13.2850  -14.0772
            6   O1c O    14.6959  -12.8044
            7   O1c O    16.5788  -15.4424
            8   O1c O    17.8408  -14.0979
            9   O1c O    16.5891  -12.8044
            10  X   Cl   15.6543  -16.2457
            11  X   Cl   15.6618  -12.0787
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 2
            9     1  10 1
            10    1  11 1

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KEGG   DRUG: Clodronic acid disodium salt
Entry
D07720                      Drug                                   
Name
Clodronic acid disodium salt;
Disodium clodronate;
Clodronate disodium;
Bonefos (TN)
Formula
CH2Cl2O6P2. 2Na
Exact mass
287.8499
Mol weight
288.856
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
ATC code: M05BA02
Chemical structure group: DG00781
Efficacy
Antihypercalcemia, Antiresorptive
Comment
Bisphosphonate
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
     M05BA02 Clodronic acid
      D07720  Clodronic acid disodium salt
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00781  Clodronic acid
     D07720  Clodronic acid disodium salt
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00781  Clodronic acid
Other DBs
CAS: 22560-50-5
PubChem: 51092016
ChEBI: 59586
LigandBox: D07720
NIKKAJI: J286.245J J395.799C
LinkDB
KCF data

ATOM        13
            1   C1d C    24.2900  -17.9200
            2   P1b P    23.3100  -17.9200
            3   P1b P    25.2000  -17.9200
            4   O1c O    23.3100  -19.2500 #-
            5   O1c O    21.9100  -17.8500
            6   O1c O    23.3100  -16.5900
            7   O1c O    25.2000  -19.2500 #-
            8   O1c O    26.4600  -17.8500
            9   O1c O    25.2000  -16.5900
            10  X   Cl   24.2900  -20.0200
            11  X   Cl   24.2900  -15.8900
            12  Z   Na   27.2300  -20.0900 #+
            13  Z   Na   20.9300  -20.0900 #+
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 2
            9     1  10 1
            10    1  11 1

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