Lometrexol sodiumProduct ingredient for Lometrexol
- Name
- Lometrexol sodium
- Drug Entry
- Lometrexol
Lometrexol has been used in trials studying the treatment of Lung Cancer, Drug/Agent Toxicity by Tissue/Organ, and Unspecified Adult Solid Tumor, Protocol Specific.
- Accession Number
- DBSALT002383
- Structure
Structure for Lometrexol sodium (DBSALT002383)
- Synonyms
- Lometrexol sodium
- UNII
- US81N1145T
- CAS Number
- 120408-07-3
- Weight
- Average: 487.424
Monoisotopic: 487.14437204 - Chemical Formula
- C21H23N5Na2O6
- InChI Key
- SVJSWELRJWVPQD-KJWOGLQMSA-L
- InChI
- InChI=1S/C21H25N5O6.2Na/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28;;/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30);;/q;2*+1/p-2/t12-,15+;;/m1../s1
- IUPAC Name
- disodium (2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)formamido]pentanedioate
- SMILES
- [Na+].[Na+].NC1=NC(=O)C2=C(NC[C@H](CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C2)N1
- External Links
- ChemSpider
- 9707992
- ChEMBL
- CHEMBL2104666
- Predicted Properties
Property Value Source Water Solubility 0.262 mg/mL ALOGPS logP 1.48 ALOGPS logP -1 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 3.03 Chemaxon pKa (Strongest Basic) 4.75 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 188.87 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 143.67 m3·mol-1 Chemaxon Polarizability 44.32 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon