Molecular Weight of Fentanyl (C22H28N2O)
Identification of Fentanyl Chemical Compound
Chemical Formula | C22H28N2O |
---|---|
Molecular Weight | 336.47052 g/mol |
IUPAC Name | N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
SMILES String | CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3 |
InChI | 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 |
InChIKey | PJMPHNIQZUBGLI-UHFFFAOYSA-N |
Molecular Weight Description
The fentanyl molecule consists of 28 Hydrogen atom(s), 22 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s) - a total of 53 atom(s). The molecular weight of fentanyl is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 336.47052 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- CAS #: 64-17-5
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Fentanyl Molecule
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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 on atoms, bonds, connectivity and coordinates of fentanyl. The fentanyl structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of fentanyl
The molecular structure image of fentanyl is available in chemical structure page of fentanyl, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in fentanyl and the chemical bonds that hold the atoms together.
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Chemical formula of fentanyl
The molecular 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.
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InChI (IUPAC International Chemical Identifier) information of fentanyl
In addition to the molecular weight information, the structural information of fentanyl in a textual expression is available via InChi. The full standard InChI of fentanyl is given below:
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 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
It may allow easier web searches for fentanyl. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the fentanyl as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of fentanyl
There may be different names of the fentanyl compound depending on the various situations of industrial applications, which are given below including the 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
Fentanyl Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of fentanyl? |
---|
C22H28N2O |
How many atoms and what are the elements 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 types 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 molar mass of fentanyl? |
336.47052 g/mol |
What’s the SMILES format of fentanyl? |
CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3 |
What’s the InChI format 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 string of fentanyl? |
PJMPHNIQZUBGLI-UHFFFAOYSA-N |
2671
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).