Cimaterol

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Systematic / IUPAC Name: 2-Amino-5-[1-hydroxy-2-(isopropylamino)ethyl]benzonitrile

ID: Reference1980

Other Names: Cimater;
2-Amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile;
Benzonitrile, 2-amino-5-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-

Formula: C12H17N3O

Class: Therapeutics/Prescription Drugs

Spectral Data

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

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 112
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/13/2015 12:52:48 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3
InChI Key BUXRLJCGHZZYNE-UHFFFAOYSA-N
Canonical SMILES CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
CAS 54239371
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Other Names Cimater;
2-Amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile;
Benzonitrile, 2-amino-5-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-

In Other Databases

ChemSpider 2653
KEGG D03502
ChEMBL CHEMBL1374751
ChemIDPlus 054239371
PubChem 2755
Wikipedia Cimaterol