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
ChemSpider
34993198
Predicted Properties
PropertyValueSource
Water Solubility0.237 mg/mLALOGPS
logP0.45ALOGPS
logP0.31Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)14Chemaxon
pKa (Strongest Basic)9.14Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area70.52 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity83.13 m3·mol-1Chemaxon
Polarizability32.12 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon