Remifentanyl

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Systematic / IUPAC Name: Methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate

ID: Reference2284

Other Names: Remifentanil;
1-Piperidinepropanoic acid, 4-(methoxy-carbonyl)-4-[(1-oxopropyl)phenylamino], methyl ester;
4-Carboxy-4-(N-phenylpropionamido)-1-piperidinepropionic acid dimethyl ester;
Methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate;
Methyl 1-(3-methoxy-3-oxopropyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Formula: C20H28N2O5

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

Spectral Data

Remifentanyl 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 155
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/15/2018 9:52:27 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3
InChI Key ZTVQQQVZCWLTDF-UHFFFAOYSA-N
Canonical SMILES CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC
CAS 132875617
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Other Names Remifentanil;
1-Piperidinepropanoic acid, 4-(methoxy-carbonyl)-4-[(1-oxopropyl)phenylamino], methyl ester;
4-Carboxy-4-(N-phenylpropionamido)-1-piperidinepropionic acid dimethyl ester;
Methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate;
Methyl 1-(3-methoxy-3-oxopropyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

In Other Databases

ChEBI CHEBI:8802
Wikipedia Remifentanil
ChEMBL CHEMBL1005
KEGG D08473; C08021
ChemIDPlus 132875617
HMDb HMDB15036
DrugBank DB00899
PubChem 60815
ChemSpider 54803