Basic information
- CAS
90895-85-5- Standard SMILES
COc1ccc(C(=O)Nc2ccc(OCC(O)CNC(C)C)cc2)cc1- InChIKey
BPNZFFWEUGGXMC-UHFFFAOYSA-N- Molecular formula
- C20H26N2O4
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.18925731
Overview
structure given in first source
Names & identifiers
- Preferred name
- Ronactolol
- IUPAC
- N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-methoxybenzamide
- English name
- Ronactolol
- Molecular formula
- C20H26N2O4
- Molecular weight
- 358.435
Names & synonyms
Ronactolol90895-85-5RonactololumPJ691WQY08DTXSID208690704'-(2-hydroxy-3-isopropylamino)propoxy-4-anisanilideronactololoRefChem:179803DTXCID70817102Ronactolol [INN]N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-methoxybenzamideUNII-PJ691WQY08
Show more names
Benzamide, N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-4-methoxy-
Ronactololum [Latin]orb1695419SCHEMBL1254628CHEMBL1742404N-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-4-methoxybenzamideAKOS040753810HY-121843CS-0083535
Database identifiers
- CAS
90895-85-5- PubChem CID
- 65824
- DTXSID
DTXSID20869070- ChEMBL
CHEMBL1742404- UNII
- PJ691WQY08
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- FDA UNII
- 691 WQY08 · PJ691WQY08
Chemistry & industry
Applications
UsesRonactolol, an aminopropanol derivative with β-adrenoceptor blocking activity[1].
Suppliers5 total
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Wuhan Han Sheng New Material Technology Co.，Ltd+86-17798174412 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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