Bedoradrine

Base Information

• Chemical Name: Bedoradrine
• CAS No.: 194785-19-8
• Molecular Formula: C24H32 N2 O5
• Molecular Weight: 428.52
• UNII: 4EAR229231
• DSSTox Substance ID: DTXSID60173123
• Nikkaji Number: J1.507.821I
• NCI Thesaurus Code: C81641
• Metabolomics Workbench ID: 149522
• ChEMBL ID: CHEMBL2111083
• Mol file: 194785-19-8.mol

Synonyms:bedoradrine;bedoradrine sulfate;KUR-1246;MN-221

Chemical Property of Bedoradrine

Chemical Property:

• PSA: 102.26000
• Density: 1.27
• LogP: 1.96540
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 428.23112213
• Heavy Atom Count: 31
• Complexity: 560

Purity/Quality:

98%Min ^*data from raw suppliers

BEDORADRINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)COC1=CC2=C(CCC(C2)NCC(C3=CC(=C(C=C3)O)CCO)O)C=C1
• Isomeric SMILES: CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=C(C=C3)O)CCO)O)C=C1
• Uses: Tocolytic for the acute management of imminent pre-term birth.