Morantel citrate

Base Information

• Chemical Name: Morantel citrate
• CAS No.: 69525-81-1
• Molecular Formula: C12H16N2S.C6H8O7
• Molecular Weight: 412.45
• Hs Code.: 2934999090
• European Community (EC) Number: 274-028-9
• NSC Number: 758647
• UNII: VC8Z4SS5QX
• DSSTox Substance ID: DTXSID90219780
• Wikidata: Q27291761
• ChEMBL ID: CHEMBL1330312
• Mol file: 69525-81-1.mol

Synonyms:MORANTEL CITRATE;69525-81-1;Morantel citrate salt;Morantel (citrate);UNII-VC8Z4SS5QX;VC8Z4SS5QX;EINECS 274-028-9;2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine;(E)-1,4,5,6-Tetrahydro-1-methyl-2-(2-(3-methyl-2-thienyl)vinyl)pyrimidinediylium hydrogen citrate;Exhelm;(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(3-methyl-2-thienyl)vinyl]pyrimidinediylium hydrogen citrate;PYRIMIDINE, 1,4,5,6-TETRAHYDRO-1-METHYL-2-((1E)-2-(3-METHYL-2-THIENYL)ETHENYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1);Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(3-methyl-2-thienyl)ethenyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);Exhelm (TN);1,4,5,6-Tetrahydro-1-methyl-2-(2-[3-methyl-2-thienyl]ethenyl)pyrimidine;MLS004712037;SPECTRUM1503931;SCHEMBL2777336;CHEMBL1330312;SCHEMBL22320735;HMS502L08;DTXSID90219780;MORANTEL CITRATE [MART.];C12H16N2S.C6H8O7;HMS1922M08;HMS2093M11;Pharmakon1600-01503931;EX-A1463;CCG-39377;NSC758647;AKOS024255719;HS-0101;NCGC00095083-01;NCGC00095083-02;2-hydroxypropane-1,2,3-tricarboxylic acid,1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine;AC-32489;SMR003475008;C12-H16-N2-S.C6-H8-O7;HY-108387;CS-0028552;D08231;SR-01000721901-2;Q27291761;(E)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine 2-hydroxypropane-1,2,3-tricarboxylate;Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(3-methyl-2-thienyl)ethenyl]-, (E)-, 2-hydroxy-1,2,3-propanetricarboxylate(1:1)

Chemical Property of Morantel citrate

Chemical Property:

• Vapor Pressure: 4.97E-13mmHg at 25°C
• Boiling Point: 552.2°C at 760 mmHg
• Flash Point: 287.8°C
• PSA: 175.97000
• LogP: 0.92870
• Storage Temp.: 0-6°C
• Solubility.: H2O: soluble4.0ML, clear, yellow-green (200 mg + 4.0 mL H2O)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 412.13042228
• Heavy Atom Count: 28
• Complexity: 500

Purity/Quality:

99% ^*data from raw suppliers

MorantelCitrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(SC=C1)C=CC2=NCCCN2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Isomeric SMILES: CC1=C(SC=C1)/C=C/C2=NCCCN2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Uses: Morantel Citrate is a potent non-binding site acetylcholine (ACh) receptor agonist and inhibits fumarate reductase.