Disodium incadronateProduct ingredient for Incadronic acid

Show full entry for Incadronic acid
Name
Disodium incadronate
Drug Entry
Incadronic acid

Incadronate, or YM-175,6 is a nitrogen containing bisphosphonate. Along with being investigated to treat hypercalcemia of malignancy,7 it has also been investigated in the treatment of myeloma, leukemia, and other cancers.1,3,2,6

Incadronic acid was first described in the literature in 1991.5

See full entry for Incadronic acid
Accession Number
DBSALT000559
Structure
Similar Structures
Synonyms
Cimadronate / Cimadronate sodium / Incadronate sodium / Incadronic acid disodium salt
External IDs
YM-175
UNII
7L16W0096A
CAS Number
138330-18-4
Weight
Average: 330.164
Monoisotopic: 330.03740086
Chemical Formula
C9H18Na2O6P2
InChI Key
RLIRIVMEKVNVQX-UHFFFAOYSA-L
InChI
InChI=1S/C9H20O6P2.2Na/c10-16(11,12)9(17(13,14)15)7-8-5-3-1-2-4-6-8;;/h8-9H,1-7H2,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2
IUPAC Name
disodium (2-cycloheptyl-1-phosphonoethyl)phosphonate
SMILES
[Na+].[Na+].OP(O)(=O)C(CC1CCCCCC1)P([O-])([O-])=O
KEGG Drug
D07123
PubChem Compound
6918123
ChemSpider
106478
Predicted Properties
PropertyValueSource
Water Solubility18.9 mg/mLALOGPS
logP1.61ALOGPS
logP0.36Chemaxon
logS-1.2ALOGPS
pKa (Strongest Acidic)1.21Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area120.72 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity60.73 m3·mol-1Chemaxon
Polarizability24.76 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon