KEGG   DRUG: Tiludronate disodiumHelp
Entry
D02285                      Drug                                   

Name
Tiludronate disodium (USAN);
Skelid (TN)
Formula
C7H7ClO6P2S. 2Na
Exact mass
361.8922
Mol weight
362.5719
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
ATC code: M05BA05
Chemical structure group: DG00784
Efficacy
Antiresorptive, Osteoporosis agent
Comment
Bisphosphonate
Osteoporosis treatment and prevention, Paget's disease treatment
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
     M05BA05 Tiludronic acid
      D02285  Tiludronate disodium (USAN)
BRITE hierarchy
Other DBs
CAS: 149845-07-8
PubChem: 7849344
ChEMBL: CHEMBL1200448
DrugBank: DB01133
LigandBox: D02285
LinkDB All DBs
KCF data Show

ATOM        19
            1   Z   Na   17.8501  -25.5733 #+
            2   Z   Na   26.3350  -25.2721 #+
            3   C1c C    22.6100  -23.8700
            4   P1b P    23.8000  -24.5700
            5   P1b P    21.4200  -24.5700
            6   S2a S    22.6100  -22.5400
            7   C8y C    23.8000  -21.8400
            8   C8x C    24.9900  -22.5400
            9   C8x C    26.1800  -21.8400
            10  C8y C    26.1800  -20.4400
            11  C8x C    24.9900  -19.7400
            12  C8x C    23.8000  -20.4400
            13  X   Cl   27.3700  -19.7400
            14  O1c O    20.2300  -23.8700
            15  O1c O    21.4200  -25.9700
            16  O1c O    19.8800  -25.5500 #-
            17  O1c O    24.9900  -23.8700
            18  O1c O    23.8000  -25.9700
            19  O1c O    24.9900  -25.2700 #-
BOND        17
            1     3   4 1
            2     3   5 1
            3     3   6 1
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10    7  12 1
            11   10  13 1
            12    5  14 2
            13    5  15 1
            14    5  16 1
            15    4  17 2
            16    4  18 1
            17    4  19 1

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KEGG   DRUG: Tiludronic acidHelp
Entry
D08599                      Drug                                   

Name
Tiludronic acid (INN)
Formula
C7H9ClO6P2S
Exact mass
317.9284
Mol weight
318.6083
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
Same as: C08141
ATC code: M05BA05
Chemical structure group: DG00784
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
     M05BA05 Tiludronic acid
      D08599  Tiludronic acid (INN)
BRITE hierarchy
Other DBs
CAS: 89987-06-4
PubChem: 96025283
ChEBI: 9598
ChEMBL: CHEMBL1350
LigandBox: D08599
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1c C    24.4300  -24.0800
            2   P1b P    25.6424  -24.7800
            3   P1b P    23.2176  -24.7800
            4   S2a S    24.4300  -22.6800
            5   C8y C    25.6424  -21.9800
            6   C8x C    26.8379  -22.6704
            7   C8x C    28.0504  -21.9705
            8   C8y C    28.0506  -20.5705
            9   C8x C    26.8551  -19.8801
            10  C8x C    25.6426  -20.5800
            11  X   Cl   29.2734  -19.8646
            12  O1c O    22.0221  -24.0896
            13  O1c O    23.2175  -26.1798
            14  O1c O    21.6020  -25.7503
            15  O1c O    26.8379  -24.0896
            16  O1c O    25.6425  -26.1798
            17  O1c O    26.8380  -25.4703
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    5  10 1
            11    8  11 1
            12    3  12 2
            13    3  13 1
            14    3  14 1
            15    2  15 2
            16    2  16 1
            17    2  17 1

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