Structure & Deep Data of Fentanyl (C22H28N2O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The fentanyl molecule contains a total of 55 bond(s). There are 27 non-H bond(s), 13 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 tertiary amide(s) (aliphatic), and 1 tertiary amine(s) (aliphatic). Images of the chemical structure of fentanyl are given below:

The 2D chemical structure image of fentanyl is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of fentanyl are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of fentanyl is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of fentanyl. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Fentanyl Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of fentanyl

  The SMILES string of fentanyl is CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the fentanyl.

• Structure Data File (SDF/MOL File) of fentanyl

  The structure data file (SDF/MOL File) of fentanyl is available for download in the SDF page of fentanyl, which provides the information about the atoms, bonds, connectivity and coordinates of fentanyl. The fentanyl structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of fentanyl

  The molecular formula of fentanyl is available in chemical formula page of fentanyl, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of fentanyl

  The molecular weight of fentanyl is available in molecular weight page of fentanyl, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of fentanyl

  The fentanyl compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of fentanyl including the various registry numbers, if available:

  • Actiqreg
  • Sublimazereg
  • Durogesicreg
  • Abstralreg
  • Fentanyl solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material
  • Fentanyl solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material
  • N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide(Fentanyl)
  • N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide #
  • Fentanyl Citrate Injection U.S.P.-liq IV Im Epd
  • 1-(2-Phenylethyl)-4-(N-propananilido)piperidine

  • N-(1-Phenylethyl-4-piperidinyl)propionanilide
  • CAS-437-38-7
  • Fentanyl Citrate Injection USP 50mcg/ml
  • BDBM50008984
  • Fentanyl Transdermal System 100
  • Ran-fentanyl Transdermal System
  • GTPL1626
  • Fentanyl Transdermal System 75
  • Fentanyl Transdermal System 50
  • Fentanyl Transdermal System 25

  • Fentanyl Citrate Injection USP
  • Fentanyl Citrate Injection Sdz
  • Transmucosal Fentanyl Citrate
  • Mylan-fentanyl Matrix Patch
  • Epitope ID:153507
  • Fentanyl Citrate Injection
  • Ran-fentanyl Matrix Patch
  • Sublimaze Inj 50mcg/ml
  • Sandoz Fentanyl Patch
  • FENTANYL-HCl

  • Subsys (TN)
  • Fentanyl - Novaplus
  • Duragesic 100
  • Apo-fentanyl Matrix
  • Duragesic 75
  • Duragesic 50
  • Duragesic 25
  • Duragesic 12
  • PMS-fentanyl Mtx
  • Fentanyl [USAN:USP:INN:BAN]

  • Pat-fentanyl Mat
  • Co Fentanyl
  • Duragesic Mat
  • Fentanyl Patch
  • Teva-fentanyl
  • Fentanilo
  • effentora
  • 80832-90-2
  • Durotep MT
  • Propanamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)- (9CI)

  • PecFent
  • N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide
  • L001275
  • D00320
  • UF599785JZ
  • Propanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-
  • Propanamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-
  • 990-73-8 (citrate)
  • BIDD:GT0555
  • N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide

  • Fentanyl (JAN/USAN/INN)
  • Propionanilide, N-(1-phenethyl-4-piperidyl)-
  • N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
  • Duragesic (TN)
  • JNS020QD
  • Fentanyl Transdermal System
  • N-(1-Phenethyl-4-piperidinyl)-N-phenylpropionamide
  • R 4263
  • Instanyl
  • Fentanyl [INN:BAN]

  • N-(1-Phenethyl-4-piperidyl)propionanilide
  • 1-Phenethyl-4-(N-phenylpropionamido)piperidine
  • N-Phenethyl-4-(N-propionylanilino)piperidine
  • 1-Phenethyl-4-N-propionylanilinopiperidine
  • Fentanyl buccal
  • Actiq
  • Subsys
  • Rapinyl
  • Nasalfent
  • Lazanda

  • Abstral
  • Fentanyl-100
  • Fentanila [INN-Spanish]
  • Fentanil [DCIT]
  • Fentanylum [INN-Latin]
  • Fentanyl-75
  • Fentanyl-50
  • Fentanyl-25
  • Fentanyl-12
  • Duragesic-75

  • Duragesic-50
  • Duragesic-25
  • Duragesic-12
  • N-(1-Phenethylpiperidin-4-yl)-N-phenylpropionamide
  • Sublimase
  • Matrifen
  • Duragesic-100
  • 437-38-7
  • IONSYS
  • Sublimaze

  • Sentonil
  • Fentanila
  • Fentanylum
  • Durogesic
  • Fentora
  • Phentanyl
  • Fentanest
  • Duragesic
  • Fentanil
  • fentanyl

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Fentanyl Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of fentanyl?
C22H28N2O
How many atoms and what are the elements included the fentanyl molecule?
53 atom(s) - 28 Hydrogen atom(s), 22 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the fentanyl structure?
55 bond(s) - 27 non-H bond(s), 13 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 tertiary amide(s) (aliphatic), and 1 tertiary amine(s) (aliphatic)
What’s the fentanyl’s molecular weight?
336.47052 g/mol
What’s the SMILES code of fentanyl?
CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3
What’s the InChI string of fentanyl?
InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
What’s the InChIKey code of fentanyl?
PJMPHNIQZUBGLI-UHFFFAOYSA-N

7463 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).