KEGG   COMPOUND: C08141Help
Entry
C08141                      Compound                               

Name
Tiludronic acid;
Tiludronate
Formula
C7H9ClO6P2S
Exact mass
317.9284
Mol weight
318.6083
Structure
Mol fileKCF fileDB search
Remark
Same as: D08599
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: 10341
ChEBI: 9598
ChEMBL: CHEMBL1350
NIKKAJI: J476.064F
LinkDB All DBs
KCF data Show

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