Basic information
- CAS
47082-97-3- Standard SMILES
C#CCOc1ccccc1OCC(O)CNC(C)(C)C- InChIKey
UFNAECVCKNHAKN-UHFFFAOYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.1677936
Overview
RN given refers to cpd without isomeric designation; NM refers to HCl; structure
Names & identifiers
- Preferred name
- Pargolol
- IUPAC
- 1-(tert-butylamino)-3-(2-prop-2-ynoxyphenoxy)propan-2-ol
- English name
- Pargolol
- Molecular formula
- C16H23NO3
- Molecular weight
- 277.36
Names & synonyms
Pargolol47082-97-3Pargololum5OPO851W5LDTXSID808661261-(tert-Butylamino)-3-(o-(2-propynyloxy)phenoxy)-2-propanolRefChem:170072DTXCID90814451(+-)-1-((1,1-dimethylethyl)amino)-3-(2-(2-propynyloxy)phenoxy)-2-propanol, hydrochloridePargolol [INN]1-(tert-butylamino)-3-(2-prop-2-ynoxyphenoxy)propan-2-olKo 1400;Ko-1400;Ko1400
Show more names
1-(tert-Butylamino)-3-[2-(2-propynyloxy)phenoxy]-2-propanol1-(tert-butylamino)-3-(2-(prop-2-ynyloxy)phenoxy)propan-2-ol2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[2-(2-propyn-1-yloxy)phenoxy]-
1-(TERT-BUTYLAMINO)-3-[2-(PROP-2-YN-1-YLOXY)PHENOXY]PROPAN-2-OLPargololum [INN-Latin]UNII-5OPO851W5Lorb1740263SCHEMBL1254705CHEMBL17424101-(tert-butylamino)-3-((2-propynyloxy)phenoxy)-2-propanol.HClKO-1400
Database identifiers
- CAS
47082-97-3- PubChem CID
- 68673
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
LogP2.32
Physicochemical properties
- FDA UNII
- 5 OPO851W5L · 5OPO851W5L
Chemistry & industry
Applications
UsesPargolol is a β adrenergic receptor antagonist.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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