Ancarolol
Basic information
- CAS
75748-50-4- Standard SMILES
CC(C)(C)NCC(O)COc1ccccc1NC(=O)c1ccco1- InChIKey
XBRNQRFNEAHCPR-UHFFFAOYSA-N- Molecular formula
- C18H24N2O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.17360725
Names & identifiers
- Preferred name
- Ancarolol
- IUPAC
- N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]furan-2-carboxamide
- English name
- Ancarolol
- Molecular formula
- C18H24N2O4
- Molecular weight
- 332.39
Names & synonyms
Ancarolol75748-50-4Ancarolol [INN]N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]furan-2-carboxamide00EED65INLAncarololumN-{2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}furan-2-carboxamideUNII-00EED65INL(R,S)-2'-(3-(tert-Butylamino)-2-hydroxypropoxy-2-furanilidorb1707658SCHEMBL1254712CHEMBL1742449
Show more names
N-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-2-furancarboxamide2-Furancarboxamide, N-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-
DTXSID50868379(+-)-2'-(3-tert-Butylamino)-2-hydroxypropoxy-2-furananilideADA74850AKOS040741147DA-70840HY-100141CS-0018129NS00126551
Database identifiers
- CAS
75748-50-4- PubChem CID
- 170339
- DTXSID
DTXSID50868379- ChEMBL
CHEMBL1742449- UNII
- 00EED65INL
- Nikkaji
- J32.864B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 433.7 · 433.7±45.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 12.26 · 12.26±0.70(Predicted)
- FDA UNII
- 0 EED65INL · 00EED65INL
Chemistry & industry
Applications
UsesAncarolol is a beta-adrenergic blocking agent.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…