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Alfentanil
SpectraBase Compound ID D9PZyuqPebb
InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
InChIKey IDBPHNDTYPBSNI-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C21H32N6O3
Exact Mass 416.253589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JRJCHWvPrk
Name Alfentanil
CAS Registry Number 71195-58-9
Classification Pharmaceutical drug, narcotic analgesic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.12 (c) (1)
DEA Controlled Substance Name Alfentanil
DEA Controlled Substance Type Isomers, esters, ethers, salts, and salts of isomers, esters and ethers
DEA Controlled Substances Code Number 9737
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 416.253588911 u
Formula C21H32N6O3
InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
InChIKey IDBPHNDTYPBSNI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 416.526 g/mol
Nominal Mass 416 u
Quality 957
Retention Index 2957
SMILES C1(N(C2=CC=CC=C2)C(CC)=O)(CCN(CC1)CCN1C(N(N=N1)CC)=O)COC
SPLASH splash10-000i-2590000000-5304b757622642909ad2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-[1-[2-(4-Ethyl-5-oxo-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidyl]-N-phenyl-propanamide
Technique GC/MS
Wiley ID DD2024_013708