Dembrexine

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Systematic / IUPAC Name: 2,4-Dibromo-6-{[(4-hydroxycyclohexyl)amino]methyl}phenol

ID: Reference7252

Other Names: Dembroxol;
Dembroxolum;
trans-4-[(3,5-Dibromosalicyl)amino]cyclohexanol ;
trans-4'-(2-Hydroxy-3,5-dibromo-benzylamino)cyclohexanol;
4,6-Dibrom-2(trans-4-hydroxycyclohexylaminomethyl)phenol

Formula: C13H17Br2NO2

Class: Therapeutics/Prescription Drugs

Spectral Data

Dembrexine 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 233
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/12/2018 8:25:03 AM
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Identificators

InChI InChI=1S/C13H17Br2NO2/c14-9-5-8(13(18)12(15)6-9)7-16-10-1-3-11(17)4-2-10/h5-6,10-11,16-18H,1-4,7H2
InChI Key GEDPQKGMHLHFOZ-UHFFFAOYSA-N
Canonical SMILES C1CC(CCC1NCC2=CC(=CC(=C2O)Br)Br)O
CAS
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Other Names Dembroxol;
Dembroxolum;
trans-4-[(3,5-Dibromosalicyl)amino]cyclohexanol ;
trans-4'-(2-Hydroxy-3,5-dibromo-benzylamino)cyclohexanol;
4,6-Dibrom-2(trans-4-hydroxycyclohexylaminomethyl)phenol;
4,6-Dibromo-α-(trans-4-hydroxycyclohexylamino)-o-cresol

In Other Databases

PubChem 72009
ChemIDPlus 083200093
ChemSpider 65008