4-Hydroxymethyl Loratadine

Base Information

• Chemical Name: 4-Hydroxymethyl Loratadine
• CAS No.: 609806-40-8
• Molecular Formula: C23H25ClN2O3
• Molecular Weight: 412.91
• UNII: W2PK8Q54XB
• DSSTox Substance ID: DTXSID70400098
• ChEMBL ID: CHEMBL3357022
• Mol file: 609806-40-8.mol

Synonyms:4-Hydroxymethyl Loratadine;609806-40-8;W2PK8Q54XB;UNII-W2PK8Q54XB;ethyl 4-[13-chloro-7-(hydroxymethyl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]piperidine-1-carboxylate;CHEMBL3357022;1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-4-(hydroxymethyl)-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester;Ethyl 4-(8-chloro-5,6-dihydro-4-(hydroxymethyl)-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate;4-Hydroxy Methyl Loratadine;DTXSID70400098;CHEBI:180532;BDBM50031281;DISCONTINUED. Please see H949915;FT-0669795;ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate

Chemical Property of 4-Hydroxymethyl Loratadine

Chemical Property:

• Vapor Pressure: 5.76E-15mmHg at 25°C
• Melting Point: 73-75°C
• Refractive Index: 1.625
• Boiling Point: 594.2°C at 760 mmHg
• PKA: 13.56±0.10(Predicted)
• Flash Point: 313.2°C
• PSA: 62.66000
• Density: 1.301g/cm³
• LogP: 4.31800
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 412.1553704
• Heavy Atom Count: 29
• Complexity: 615

Purity/Quality:

98% ^*data from raw suppliers

4-HYDROXY METHYL LORATADINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C(C=CN=C42)CO)C=C(C=C3)Cl)CC1
• Uses: A usual impurity in Loratadine syrup formulations, a nonsedating-type histamine H1-receptor A usual impurity in Loratadine syrup formulations, a nonsedating-type histamine H1-receptor.