Arimoclomol maleateProduct ingredient for Arimoclomol

Name
Arimoclomol maleate
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
DBSALT001869
Structure
Synonyms
Not Available
External IDs
BRX-220
UNII
18D1V854HG
CAS Number
289893-26-1
Weight
Average: 429.85
Monoisotopic: 429.1302778
Chemical Formula
C18H24ClN3O7
InChI Key
OHUSJUJCPWMZKR-FEGZNKODSA-N
InChI
InChI=1S/C14H20ClN3O3.C4H4O4/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17;5-3(6)1-2-4(7)8/h4-5,8-9,13,19H,1-3,6-7,10-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-;/m1./s1
IUPAC Name
(2Z)-but-2-enedioic acid; N-[(2R)-2-hydroxy-3-(piperidin-1-yl)propoxy]-1-oxo-1λ⁵-pyridine-3-carbonimidoyl chloride
SMILES
[H]\C(=C(/[H])C(O)=O)C(O)=O.[H][C@](O)(CON=C(Cl)C1=CN(=O)=CC=C1)CN1CCCCC1
ChemSpider
34988954
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 Count8Chemaxon
Refractivity83.13 m3·mol-1Chemaxon
Polarizability32.12 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon