IUPAC name
{[(4-chlorophenyl)sulfanyl](phosphono)methyl}phosphonic acid
SMILES
OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O
Compound class
Bone Density Conservation Agents; Antihypocalcemic Agents; Bisphosphonates; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases;
Therapeutic area
For treatment of Paget's disease of bone (osteitis deformans).
Common name
Tiludronate
IUPAC name
{[(4-chlorophenyl)sulfanyl](phosphono)methyl}phosphonic acid
SMILES
OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O
INCHI
InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)
FORMULA
C7H9ClO6P2S
Common name
Tiludronate
IUPAC name
{[(4-chlorophenyl)sulfanyl](phosphono)methyl}phosphonic acid
Molecular weight
318.608
clogP
-0.989
clogS
-0.283
HBond Acceptor
6
HBond Donor
4
Total Polar Surface Area
140.36
Number of Rings
1
Rotatable Bond
4
