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Screening compounds

Samidorphan

Also known as ALKS 33, ALKS-33, samidorfano

CAS 852626-89-2Formula C21H26N2O4Molar mass 370.45 g/mol
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Samidorphan chemical structure, C21H26N2O4, CAS 852626-89-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
852626-89-2
Formula
C21H26N2O4
Molar mass
370.45 g/mol
HS code
293399
Category
Screening compounds

What is Samidorphan?

Plain description, key identifiers and synonyms

Samidorphan is a member of phenanthrenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
CAS number
852626-89-2 CAS number cross-checked
Molecular formula
C21H26N2O4
UNII
7W2581Z5L8
InChIKey
RYIDHLJADOKWFM-MAODMQOUSA-N
InChI
InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Canonical SMILES
NC(=O)c1ccc2c(c1O)C13CCN(CC4CC4)C(C2)C1(O)CCC(=O)C3
Isomeric SMILES
C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O

Synonyms

  • ALKS 33
  • ALKS-33
  • samidorfano
  • (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
  • Alks-5461 component samidorphan
  • samidorphanum
  • (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo(7.5.3.01,10.02,7)heptadeca-2(7),3,5-triene-4-carboxamide
  • (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo(7.5.3.0^(1,10).0^(2,7))heptadeca-2(7),3,5-triene-4-carboxamide
  • ALKS33
  • RDC 0313
  • 17-(Cyclopropylmethyl)-4,14-dihydroxy-6-oxomorphinan-3-carboxamide
  • Samidorphan (USAN)
  • Morphinan-3-carboxamide, 17-(cyclopropylmethyl)-4,14-dihydroxy-6-oxo-
  • CCDC 710249, HCl salt
  • Lybalvi (olanzapine + samidorphan)
  • compound 5
  • (4bR,8aS,9R)-11-(cyclopropylmethyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide
  • Samidorphan component of alks-5461
  • 17-cyclopropylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

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
370.45 g/molcalc.
Exact mass
370.1893 Dacalc.
LogP (octanol/water)
1.25calc.
Topological polar surface area
103.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C1CCC2C3Cc4ccccc4C2(CCN3CC2CC2)C1

O=C1CCC2C3Cc4ccccc4C2(CCN3CC2CC2)C1

5 rings, 22 atoms.

16 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.

Samidorphan suppliers

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Where suppliers are based

1 supplier in 1 country

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Samidorphan price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Narcotic Antagonists

Roles

  • antipsychotic agent
  • central nervous system depressant
  • central nervous system drug
  • pharmaceutical
  • psychotropic drug
  • tranquilizing drug

Pharmacology

Samidorphan is an Opioid Antagonist. The mechanism of action of samidorphan is as an Opioid Antagonist.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Samidorphan?

Samidorphan is a member of phenanthrenes.

What is the CAS number of Samidorphan?

The CAS registry number of Samidorphan is 852626-89-2.

What is the molecular formula and weight of Samidorphan?

The molecular formula of Samidorphan is C21H26N2O4 and its molar mass is 370.45 g/mol.

What is Samidorphan used for?

Known uses and roles of Samidorphan include building blocks in research and laboratory, screening compounds in research and laboratory, antipsychotic agent, central nervous system depressant, central nervous system drug and 4 more.

Is Samidorphan hazardous?

No GHS hazard classification for Samidorphan 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 Samidorphan?

Samidorphan is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Samidorphan?

CompoundList lists 1 supplier of Samidorphan in Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Samidorphan?

Suppliers quote Samidorphan on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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

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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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