Clemizole undecylate

Base Information

• Chemical Name: Clemizole undecylate
• CAS No.: 61853-30-3
• Molecular Formula: C30H42ClN3O2
• Molecular Weight: 512.1264
• European Community (EC) Number: 263-276-3
• UNII: 6K5XAP3A37
• DSSTox Substance ID: DTXSID10210830
• Wikidata: Q27265033
• NCI Thesaurus Code: C97695
• Mol file: 61853-30-3.mol

Synonyms:Clemizole undecylate;61853-30-3;UNII-6K5XAP3A37;6K5XAP3A37;EINECS 263-276-3;Clemizole undecylate (JAN);Undecanoic acid, compound with 1-((4-chlorophenyl)methyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole (1:1);CLEMIZOLE UNDECYLATE [JAN];1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;undecanoic acid;Undecanoic acid, compound with 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole (1:1);CLEMIZOLE UNDECANOATE;CLEMIZOLE UNDECYLENATE;DTXSID10210830;C19H20ClN3.C11H22O2;CLEMIZOLE UNDECYLATE [WHO-DD];CLEMIZOLE UNDECANOATE [WHO-DD];CLEMIZOLE UNDECYLENATE [WHO-DD];C19-H20-Cl-N3.C11-H22-O2;D02013;Q27265033;1H-BENZIMIDAZOLE, 1-((4-CHLOROPHENYL)METHYL)-2-(1-PYRROLIDINYLMETHYL)-, MONOUNDECANOATE

Chemical Property of Clemizole undecylate

Chemical Property:

• Vapor Pressure: 3.25E-19mmHg at 25°C
• Boiling Point: 676.3°C at 760 mmHg
• Flash Point: 362.8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 511.2965553
• Heavy Atom Count: 36
• Complexity: 498

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)O.C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl