Tapentadol

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Systematic / IUPAC Name: 3-[(2R,3R)-1-(Dimethylamino)-2-methyl-3-pentanyl]phenol

ID: Reference6244

Other Names: 3-[(2R,3R)-1-Dimethylamino-2-methylpentan-3-yl]phenol;
Phenol, 3-[(1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-

Formula: C14H23NO

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Tapentadol 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/25/2017 8:58:17 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
InChI Key KWTWDQCKEHXFFR-SMDDNHRTSA-N
Canonical SMILES CCC(C1=CC(=CC=C1)O)C(C)CN(C)C
CAS
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Other Names 3-[(2R,3R)-1-Dimethylamino-2-methylpentan-3-yl]phenol;
Phenol, 3-[(1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-

In Other Databases

PubChem 9838022
DrugBank DB06204
KEGG D06007
ChEMBL CHEMBL1201776
ChemSpider 8013742
Wikipedia Tapentadol