IUPAC name
[(cyclohexylamino)(phosphono)methyl]phosphonic acid
SMILES
OP(O)(=O)C(NC1CCCCC1)P(O)(O)=O
Compound class
Bone Density Conservation Agents;
Therapeutic area
For the treatment of hypercalcemia associated with malignant disease.
Common name
Incadronate
IUPAC name
[(cyclohexylamino)(phosphono)methyl]phosphonic acid
SMILES
OP(O)(=O)C(NC1CCCCC1)P(O)(O)=O
INCHI
InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14)
FORMULA
C7H17NO6P2
Common name
Incadronate
IUPAC name
[(cyclohexylamino)(phosphono)methyl]phosphonic acid
Molecular weight
273.161
clogP
-2.465
clogS
0.847
HBond Acceptor
6
HBond Donor
5
Total Polar Surface Area
127.09
Number of Rings
1
Rotatable Bond
4
