SDF/Mol File of Fentanyl (C22H28N2O)

Structure Data File (SDF/MOL File) Description

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chemical table area

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Additional Information for Identifying Fentanyl Molecule

• Chemical structure of fentanyl

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of fentanyl is available in chemical structure page of fentanyl, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of fentanyl

  The chemical formula of fentanyl is given 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.

• InChI (IUPAC International Chemical Identifier) information of fentanyl

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of fentanyl is:

  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

  It can provide a standard way to encode the molecular information of fentanyl to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of fentanyl is:

  InChIKey=PJMPHNIQZUBGLI-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for fentanyl, but it needs to be linked to the full InChI to get back to the original structure of the fentanyl since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of fentanyl

  The fentanyl compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of fentanyl including the registry numbers are listed below, 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 fentanyl formula?
C22H28N2O
How many atoms and what elements are included in 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 in 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 molar mass?
336.47052 g/mol
What’s the SMILES structure of fentanyl?
CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3
What’s the InChI code 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 format of fentanyl?
PJMPHNIQZUBGLI-UHFFFAOYSA-N

870 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).