Basic information
- CAS
54-80-8- Standard SMILES
CC(C)NCC(O)c1ccc2ccccc2c1- InChIKey
HRSANNODOVBCST-UHFFFAOYSA-N- Molecular formula
- C15H19NO
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.14666423
Overview
Pronethalol is a member of naphthalenes.
Names & identifiers
- Preferred name
- Pronethalol
- IUPAC
- 1-naphthalen-2-yl-2-(propan-2-ylamino)ethanol
- English name
- Pronetalol
- Molecular formula
- C15H19NO
- Molecular weight
- 229.32
Names & synonyms
pronethalolPronetalol54-80-8NaphthylisoproterenolNethalideInetolCompound 38174NETHPronetalolumPronetaloloDL-Pronethalol2-Isopropylamino-1-(naphth-2-yl)ethanol
Show more names
AlderlinPronethanol(+/-)-PronethalolPronethalol (()-Pronethalo)
XBP4RT1IMQDTXSID8021193GNF-Pf-26702-(isopropylamino)-1-(2-naphthyl)ethanolAY-6204 HClAY 6204 FREE BASEAY-6204 FREE BASEICI 38174 FREE BASE
Database identifiers
- CAS
54-80-8- PubChem CID
- 4930
- DTXSID
DTXSID8021193- ChEMBL
CHEMBL16476- ChEBI
CHEBI:8463- UNII
- XBP4RT1IMQ
- Nikkaji
- J793E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LogP3.0
Collision Cross Section154.15 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 108 ° · 108°
- Boiling point
- 371.23 °C · 371.23°C (rough estimate)
- Density
- 1.002 · 1.0020 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 13.91 · 13.91±0.20(Predicted)
- form
- Solid
- color
- White to off-white
- CAS DataBase Reference
- 54 · 54-80-8
- FDA UNII
- 4 RT1IMQ · XBP4RT1IMQ
Chemistry & industry
Applications
UsesPronetalol is a kind of beta adrenergic agonist, antiarrhythmic.
UsesA non-selective beta blocker, not yet used in treatment due to carcinogenic properties.
Suppliers23 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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