Pamatolol
Basic information
- CAS
59110-35-9- Standard SMILES
COC(=O)NCCc1ccc(OCC(O)CNC(C)C)cc1- InChIKey
UGENBJKPPGFFAT-UHFFFAOYSA-N- Molecular formula
- C16H26N2O4
- Average molar mass
- 310.39 g/mol
- Monoisotopic mass
- 310.18925731
Overview
RN given refers to (+-)-isomer
Names & identifiers
- Preferred name
- Pamatolol
- IUPAC
- methyl N-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]carbamate
- English name
- Pamatolol
- Molecular formula
- C16H26N2O4
- Molecular weight
- 310.391
Names & synonyms
Pamatolol59110-35-9Pamatololum20G2S6V53L(2-(4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenyl) ethyl)carbamic acid methyl esterDTXSID30866737RefChem:169811DTXCID10814993methyl (4-(2-hydroxy-3-(isopropylamino)propoxy)phenylethyl)carbamatePamatolol [INN]methyl N-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]carbamatePamatololum [INN-Latin]
Show more names
Carbamic acid, N-[2-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]ethyl]-, methyl ester
UNII-20G2S6V53LSCHEMBL828220orb1706847CHEMBL2110710JCA11035HY-U00019Methyl (+-)-4-(2-hydroxy-3-(isopropylamino)propoxy)phenethylcarbamatMethyl N-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenethyl)carbamat
Database identifiers
- CAS
59110-35-9- PubChem CID
- 43150
- DTXSID
DTXSID30866737- ChEMBL
CHEMBL2110710- UNII
- 20G2S6V53L
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 487 · 487.0±45.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 12.44 · 12.44±0.46(Predicted)
- FDA UNII
- 20 G2S6V53L · 20G2S6V53L
Chemistry & industry
Applications
UsesAnti-adrenergic (β-receptor).
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Related reactions
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Compound notes
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