Ancarolol

Base Information

• Chemical Name: Ancarolol
• CAS No.: 75748-50-4
• Molecular Formula: C18H24 N2 O4
• Molecular Weight: 332.39
• UNII: 00EED65INL
• DSSTox Substance ID: DTXSID50868379
• Nikkaji Number: J32.864B
• Wikipedia: Ancarolol
• Wikidata: Q4752530
• NCI Thesaurus Code: C73014
• ChEMBL ID: CHEMBL1742449
• Mol file: 75748-50-4.mol

Synonyms:Ancarolol;75748-50-4;Ancarolol [INN];Ancarololum;UNII-00EED65INL;00EED65INL;N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]furan-2-carboxamide;(+-)-2'-(3-tert-Butylamino)-2-hydroxypropoxy-2-furananilide;(R,S)-2'-(3-(tert-Butylamino)-2-hydroxypropoxy-2-furanilid;N-{2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}furan-2-carboxamide;SCHEMBL1254712;CHEMBL1742449;DTXSID50868379;AKOS040741147;HY-100141;CS-0018129;Q4752530;( -)-2'-(3-tert-Butylamino)-2-hydroxypropoxy-2-furananilide;(+-)-2'-(3-(tert-Butylamino)-2-hydroxypropoxy)-2-furananilide;(+/-)-2'-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-2-FURANANILIDE

Chemical Property of Ancarolol

Chemical Property:

• Vapor Pressure: 2.74E-08mmHg at 25°C
• Boiling Point: 433.7°C at 760 mmHg
• PKA: 12.26±0.70(Predicted)
• Flash Point: 216.1°C
• PSA: 83.73000
• Density: 1.183g/cm³
• LogP: 3.12360
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 332.17360725
• Heavy Atom Count: 24
• Complexity: 397

Purity/Quality:

95% ^*data from raw suppliers

ANCAROLOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC=C1NC(=O)C2=CC=CO2)O
• Therapeutic Function: Beta-adrenergic blocker