Penbutolol

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Systematic / IUPAC Name: 1-(2-Cyclopentylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol

ID: Reference2434

Other Names: 1-(tert-Butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;
2-Propanol, 1-(2-cyclopentylphenoxy)-3-[(1,1-dimethylethyl)amino]-

Formula: C18H29NO2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Penbutolol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/4/2015 12:36:26 PM
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Identificators

InChI InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3
InChI Key KQXKVJAGOJTNJS-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O
CAS
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Other Names 1-(tert-Butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;
2-Propanol, 1-(2-cyclopentylphenoxy)-3-[(1,1-dimethylethyl)amino]-

In Other Databases

Wikipedia Penbutolol
ChEMBL CHEMBL26362
ChemSpider 4562
PubChem 4724