Alfentanil

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Systematic / IUPAC Name: N-{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidinyl}-N-phenylpropanamide

ID: Reference1870

Other Names: Alfentanilum;
Alfentanyl;
N-{1-[2-(4-Ethyl-4,5-dihydro-5-oxotetrazolyl)ethyl]-4-(methoxymethyl)-4-piperidyl}-N-phenylpropionamid ;
N-{1-[2-(4-Ethyl-4,5-dihydro-5-oxotetrazolyl)ethyl]-4-(methoxymethyl)-4-piperidyl}propionanilid ;
N-{1-[2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl]-4-(methoxymethyl)-4-piperidyl}propionanilide ; more

Formula: C21H32N6O3

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

Spectral Data

Alfentanil mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 3055
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 11/15/2018 10:26:42 AM
View Mass Spec Data > >

Identificators

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
InChI Key IDBPHNDTYPBSNI-UHFFFAOYSA-N
Canonical SMILES CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC
CAS
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Other Names Alfentanilum;
Alfentanyl;
N-{1-[2-(4-Ethyl-4,5-dihydro-5-oxotetrazolyl)ethyl]-4-(methoxymethyl)-4-piperidyl}-N-phenylpropionamid ;
N-{1-[2-(4-Ethyl-4,5-dihydro-5-oxotetrazolyl)ethyl]-4-(methoxymethyl)-4-piperidyl}propionanilid ;
N-{1-[2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl]-4-(methoxymethyl)-4-piperidyl}propionanilide ;
N-{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide;
N-{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide;
Propanamide, N-{1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidinyl}-N-phenyl-

In Other Databases

ChEBI CHEBI:2569
PubChem 51263
KEGG C08005; D07122
HMDb HMDB14940
DrugBank APRD00726
Wikipedia Alfentanil
ChEMBL CHEMBL634
ChemIDPlus 071195589
ChemSpider 46451