Ocfentanil
Also known as Ocfentanilo, Ocfentanyl, Ocfentanilum
Key facts
What buyers check first
- CAS number
- 101343-69-5
- Formula
- C22H27FN2O2
- Molar mass
- 370.47 g/mol
- EC number
- 110-977-6
- HS code
- 293339
- Category
- Screening compounds
What is Ocfentanil?
Plain description, key identifiers and synonyms
Ocfentanyl is a monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(2-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine with methoxyacetic acid. It is a synthetic analogue of fentanyl. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is an ether, a member of piperidines, a monocarboxylic acid amide, a tertiary amino compound and a member of monofluorobenzenes.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-(2-fluorophenyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
- CAS number
- 101343-69-5 CAS number cross-checked
- EC number
- 110-977-6
- Molecular formula
- C22H27FN2O2
- UNII
- MX52WBC8EV
- InChIKey
- NYISTOZKVCMVEL-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H27FN2O2/c1-27-17-22(26)25(21-10-6-5-9-20(21)23)19-12-15-24(16-13-19)14-11-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3
- SMILES (canonical and isomeric)
- COCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F
Synonyms
- Ocfentanilo
- Ocfentanyl
- Ocfentanilum
- N-(2-Fluorophenyl)-2-methoxy-N-(1-(2-phenylethyl)-4-piperidinyl)acetamide
- Acetamide, N-(2-fluorophenyl)-2-methoxy-N-(1-(2-phenylethyl)-4-piperidinyl)-
- N-(2-Fluorophenyl)-2-methoxy-N-[1-(2-phenylethyl)-4-piperidinyl]acetamide
- 1-(2-phenylethyl)-4-(N-(2-fluorophenyl)methoxyacetamido)piperidine
- N-(2-fluorophenyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
- ortho-fluoro MAF
- o-fluoro MAF
- o-fluoro methoxyacetyl fentanyl
- ortho-fluoro methoxyacetyl fentanyl
- 2'-Fluoro-2-methoxy-N-(1-phenethyl)-4-piperidyl)acetanilide
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 370.47 g/molcalc.Computed value |
|---|---|
| Exact mass | 370.2057 Dacalc.Computed value |
| LogP (octanol/water) | 3.51calc.Computed value |
| Topological polar surface area | 32.78 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 27calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.41calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(CCN2CCC(Nc3ccccc3)CC2)cc1
3 rings, 21 atoms, the N-Phenyl-1-(2-phenylethyl)-4-piperidinamine ring system.
368 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H300 + H310 + H330Fatal if swallowed. Fatal in contact with skin. Fatal if inhaled.
- H300Fatal if swallowed.
- H310Fatal in contact with skin.
- H330Fatal if inhaled.
Precautionary statements (18)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P262Do not get in eyes, on skin, or on clothing.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P284In case of inadequate ventilation wear respiratory protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P316Get emergency medical help immediately.
- P320Specific treatment is urgent (see supplemental first aid instructions on the label).
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidOcfentanil suppliers
Trading restrictions apply to this substance
Ocfentanil is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Listing and enquiries are not allowed for this substance.
Reference: UN Single Convention on Narcotic Drugs 1961
Our policy on controlled substancesOcfentanil price
Indicative price range per kg from live supplier offers
Prices are not shown for prohibited substances.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- agonist
- analgesic
- mu-opioid agent
- mu-opioid receptor agonist
- neurotransmitter agent
- opioid agent
- opioid analgesic
- opioid receptor agonist
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
Ocfentanil is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Listing and enquiries are not allowed for this substance.
Reference: UN Single Convention on Narcotic Drugs 1961
Our policy on controlled substancesControls
- US DEA controlled substance or listed chemical
- Controlled narcotic drug
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Ocfentanil is traded under.
Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…
- Germany14.2%
- United States12.8%
- Brazil10.1%
* Partner reported figures, a lower bound.
The HS code shown for Ocfentanil is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Ocfentanil, based on the data on this page
What is Ocfentanil?
What is the CAS number of Ocfentanil?
What is the molecular formula and weight of Ocfentanil?
What is Ocfentanil used for?
Is Ocfentanil hazardous?
What is the HS code of Ocfentanil?
Can I buy Ocfentanil on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Ocfentanil
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
Explore more in Screening compounds or HS code 293339