Propoxyphene

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Systematic / IUPAC Name: [4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate

ID: Reference2341

Other Names: 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester);
1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane;
(1R,2S)-1-Benzyl-3-dimethylamino-2-methyl-1-phenylpropyl propionate;
Benzeneethanol, α-[2-(dimethylamino)-1-methylethyl]-α-phenyl-, propanoate (ester);
Propionic acid, α-(2-dimethylamino-1-methylethyl)-α-phenylphenethyl ester ; more

Formula: C22H29NO2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs Drugs of Abuse/Illegal Drugs

Spectral Data

Propoxyphene 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 2/26/2015 1:33:30 PM
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Identificators

InChI InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3
InChI Key XLMALTXPSGQGBX-UHFFFAOYSA-N
Canonical SMILES CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C
CAS 77509
Splash
Other Names 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester);
1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane;
(1R,2S)-1-Benzyl-3-dimethylamino-2-methyl-1-phenylpropyl propionate;
Benzeneethanol, α-[2-(dimethylamino)-1-methylethyl]-α-phenyl-, propanoate (ester);
Propionic acid, α-(2-dimethylamino-1-methylethyl)-α-phenylphenethyl ester;
Depromic;
Doloxen;
4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate

In Other Databases

ChEBI CHEBI:77401
KEGG C07406
PubChem 15330
ChemSpider 14592
ChemIDPlus 002338376; 000077509; 034427797