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Piritramide
SpectraBase Compound ID Ht5m02G1vna
InChI InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
InChIKey IHEHEFLXQFOQJO-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H34N4O
Exact Mass 430.273262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVequ49TnGq
Name Piritramide
CAS Registry Number 302-41-0
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) (82)
DEA Controlled Substance Name Piritramide
DEA Controlled Substance Type Isomers, esters, ethers, salts, and salts of isomers, esters and ethers
DEA Controlled Substances Code Number 9642
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 430.273261730 u
Formula C27H34N4O
InChI InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
InChIKey IHEHEFLXQFOQJO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 430.596 g/mol
Nominal Mass 430 u
Quality 991
Retention Index 3473
SMILES NC(C1(N2CCCCC2)CCN(CCC(C2=CC=CC=C2)(C=2C=CC=CC2)C#N)CC1)=O
SPLASH splash10-000i-5915000000-d30a739d9bd2bf1c2df1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3-Cyano-3,3-diphenyl-propyl)-4-(1-piperidyl)piperidine-4-carboxamide
Technique GC/MS
Wiley ID DD2024_030048