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Tilidine
SpectraBase Compound ID GeTtSSnl6KI
InChI InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m0/s1
InChIKey WDEFBBTXULIOBB-DOTOQJQBSA-N
Mol Weight 273.38 g/mol
Molecular Formula C17H23NO2
Exact Mass 273.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VZuUQKVv6W
Name Tilidine
CAS Registry Number 20380-58-9
Classification Pharmaceutical drug, narcotic analgesic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.11 (b) (90)
DEA Controlled Substance Name Tilidine
DEA Controlled Substance Type Isomers, esters, ethers, salts, and salts of isomers, esters and ethers
DEA Controlled Substances Code Number 9750
DEA Schedule Schedule I
DEA Section (b) Opiates. Unless specifically excepted or unless listed in another schedule, any of the following opiates, including their 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 (for purposes of 3-methylthiofentanyl only, the term isomer includes the optical and geometric isomers):
Exact Mass 273.172878983 u
Formula C17H23NO2
InChI InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m0/s1
InChIKey WDEFBBTXULIOBB-DOTOQJQBSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 273.376 g/mol
Nominal Mass 273 u
Quality 995
Retention Index 1840
SMILES [C@]1([C@@](N(C)C)(C=CCC1)[H])(C=1C=CC=CC1)C(OCC)=O
SPLASH splash10-000t-9300000000-27d54486b296ece5c0ec
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Tilidate Tilidin Ethyl (1S,2R)-2-dimethylamino-1-phenyl-cyclohex-3-ene-1-carboxylate
Technique GC/MS
Wiley ID DD2024_023548