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Screening compounds

Desmethylsufentanil

Also known as Propanamide, N-(4-(hydroxymethyl)-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenyl-, N-(4-(Hydroxymethyl)-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenylpropanamide, Sufentanil metabolite sm11

CAS 99759-68-9Formula C21H28N2O2SMolar mass 372.53 g/mol
Prohibited, not for trade
Why it is not for trade
Desmethylsufentanil chemical structure, C21H28N2O2S, CAS 99759-68-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
99759-68-9
Formula
C21H28N2O2S
Molar mass
372.53 g/mol
HS code
293499
Category
Screening compounds

What is Desmethylsufentanil?

Plain description, key identifiers and synonyms

Desmethylsufentanil is a chemical substance with the molecular formula C21H28N2O2S and a molar mass of 372.53 g/mol. Its CAS registry number is 99759-68-9. The IUPAC name is N-[4-(hydroxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[4-(hydroxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CAS number
99759-68-9
Molecular formula
C21H28N2O2S
UNII
8IYN7W6FNM
InChIKey
IKKRKSPOFAHWCV-UHFFFAOYSA-N
InChI
InChI=1S/C21H28N2O2S/c1-2-20(25)23(18-7-4-3-5-8-18)21(17-24)11-14-22(15-12-21)13-10-19-9-6-16-26-19/h3-9,16,24H,2,10-15,17H2,1H3
SMILES (canonical and isomeric)
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)CO

Synonyms

  • Propanamide, N-(4-(hydroxymethyl)-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenyl-
  • N-(4-(Hydroxymethyl)-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenylpropanamide
  • Sufentanil metabolite sm11

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
372.53 g/molcalc.
Exact mass
372.1871 Dacalc.
LogP (octanol/water)
3.56calc.
Topological polar surface area
43.78 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(NC2CCN(CCc3cccs3)CC2)cc1

c1ccc(NC2CCN(CCc3cccs3)CC2)cc1

3 rings, 20 atoms.

35 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Desmethylsufentanil suppliers

Trading restrictions apply to this substance

Controlled or monitored substance

Desmethylsufentanil is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Our policy on controlled substances

Desmethylsufentanil 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

Regulatory status

Inventories, regulations and trade controls that list this substance

Controlled or monitored substance

Desmethylsufentanil is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Desmethylsufentanil is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Desmethylsufentanil is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Desmethylsufentanil, based on the data on this page

What is Desmethylsufentanil?

Desmethylsufentanil is a chemical substance with the molecular formula C21H28N2O2S and a molar mass of 372.53 g/mol. Its CAS registry number is 99759-68-9. The IUPAC name is N-[4-(hydroxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

What is the CAS number of Desmethylsufentanil?

The CAS registry number of Desmethylsufentanil is 99759-68-9.

What is the molecular formula and weight of Desmethylsufentanil?

The molecular formula of Desmethylsufentanil is C21H28N2O2S and its molar mass is 372.53 g/mol.

What is Desmethylsufentanil used for?

Known uses and roles of Desmethylsufentanil include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Desmethylsufentanil hazardous?

No GHS hazard classification for Desmethylsufentanil is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Desmethylsufentanil?

Desmethylsufentanil is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Can I buy Desmethylsufentanil on CompoundList?

No. Desmethylsufentanil is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle Desmethylsufentanil

Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page

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