Arimoclomol citrateProduct ingredient for Arimoclomol
- Name
- Arimoclomol citrate
- Drug Entry
- Arimoclomol
Arimoclomol is an experimental drug compound developed by CytRx Corporation, a biopharmaceutical company based in Los Angeles, California. The orally administered drug is intended to treat amyotrophic lateral sclerosis (ALS), also known as Lou Gehrig's disease, a neurodegenerative disease with no effective treatment.
- Accession Number
- DBSALT001870
- Structure
- Synonyms
- Not Available
- UNII
- Q85FFY6179
- CAS Number
- 368860-21-3
- Weight
- Average: 505.91
Monoisotopic: 505.1463218 - Chemical Formula
- C20H28ClN3O10
- InChI Key
- XSENLDLUMVYRET-BTQNPOSSSA-N
- InChI
- InChI=1S/C14H20ClN3O3.C6H8O7/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,8-9,13,19H,1-3,6-7,10-11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t13-;/m1./s1
- IUPAC Name
- 2-hydroxypropane-1,2,3-tricarboxylic acid; N-[(2R)-2-hydroxy-3-(piperidin-1-yl)propoxy]-1-oxo-1λ⁵-pyridine-3-carbonimidoyl chloride
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.[H][C@](O)(CON=C(Cl)C1=CN(=O)=CC=C1)CN1CCCCC1
- External Links
- ChemSpider
- 34993198
- Predicted Properties
Property Value Source Water Solubility 0.237 mg/mL ALOGPS logP 0.45 ALOGPS logP 0.31 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 14 Chemaxon pKa (Strongest Basic) 9.14 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 70.52 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 83.13 m3·mol-1 Chemaxon Polarizability 32.12 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon