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Tapentadol
SpectraBase Compound ID KrT1khWAz6z
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
InChIKey KWTWDQCKEHXFFR-SMDDNHRTSA-N
Mol Weight 221.34 g/mol
Molecular Formula C14H23NO
Exact Mass 221.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcbmmiJGRVw
Name Tapentadol
CAS Registry Number 175591-23-8
Classification my-opioid receptor agonist (MOR)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.12 (c) (29)
DEA Controlled Substance Name Tapentadol
DEA Controlled Substance Type Isomers, esters, ethers, salts, and salts of isomers, esters and ethers
DEA Controlled Substances Code Number 9780
DEA Schedule Schedule II
DEA Section Opiates. Unless specifically excepted or unless in another schedule any of the following opiates, including its isomers, esters, ethers, salts and salts of isomers, esters and ethers whenever the existence of such isomers, esters, ethers, and salts is possible within the specific chemical designation, dextrorphan and levopropoxyphene excepted
Exact Mass 221.177964364 u
Formula C14H23NO
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
InChIKey KWTWDQCKEHXFFR-SMDDNHRTSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 221.344 g/mol
Nominal Mass 221 u
Quality 988
Retention Index 1663
SMILES OC=1C=C([C@@]([C@](CN(C)C)(C)[H])(CC)[H])C=CC1
SPLASH splash10-0a4i-9100000000-4dba7a7d32131757d1cd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Nucynta 3-[(1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl]phenol
Technique GC/MS
Wiley ID DD2024_033506