KEGG   DRUG: Clodronate disodiumHelp
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
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
ATC code: M05BA02
Chemical structure group: DG00781
Efficacy
Antiresorptive, Osteoporosis agent
Comment
Bisphosphonate
Interaction
Drug 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)
BRITE hierarchy
Other DBs
CAS: 88416-50-6
PubChem: 47205853
DrugBank: DB00720
LigandBox: D03544
LinkDB All DBs
KCF data Show

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 acidHelp
Entry
D03545                      Drug                                   

Name
Clodronic acid (USAN/INN)
Formula
CH4Cl2O6P2
Exact mass
243.886
Mol weight
244.8924
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
ATC code: M05BA02
Chemical structure group: DG00781
Efficacy
Antiresorptive
Comment
Bisphosphonate
Interaction
Drug 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)
BRITE hierarchy
Other DBs
CAS: 10596-23-3
PubChem: 47205854
ChEBI: 110423
ChEMBL: CHEMBL12318
DrugBank: DB00720
LigandBox: D03545
NIKKAJI: J10.448E
LinkDB All DBs
KCF data Show

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 saltHelp
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
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
ATC code: M05BA02
Chemical structure group: DG00781
Efficacy
Antihypercalcemia, Antiresorptive
Comment
Bisphosphonate
Interaction
Drug 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
BRITE hierarchy
Other DBs
CAS: 22560-50-5
PubChem: 51092016
ChEBI: 59586
ChEMBL: CHEMBL1520188
LigandBox: D07720
NIKKAJI: J286.245J J395.799C
LinkDB All DBs
KCF data Show

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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