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Screening compounds

Xorphanol

Also known as Xorfanol, Xorphanolum, TR 5379

CAS 77287-89-9Formula C23H31NOMolar mass 337.51 g/mol
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Xorphanol chemical structure, C23H31NO, CAS 77287-89-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77287-89-9
Formula
C23H31NO
Molar mass
337.51 g/mol
HS code
293399
Category
Screening compounds

What is Xorphanol?

Plain description, key identifiers and synonyms

Xorphanol is a chemical substance with the molecular formula C23H31NO and a molar mass of 337.51 g/mol. Its CAS registry number is 77287-89-9. The IUPAC name is (1R,9R,10R,11S)-17-(cyclobutylmethyl)-11-methyl-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,9R,10R,11S)-17-(cyclobutylmethyl)-11-methyl-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CAS number
77287-89-9 CAS number cross-checked
Molecular formula
C23H31NO
UNII
L415991P58
InChIKey
AZJPPZHRNFQRRE-AZIXLERZSA-N
InChI
InChI=1S/C23H31NO/c1-15-10-16(2)22-21-11-18-6-7-19(25)12-20(18)23(22,13-15)8-9-24(21)14-17-4-3-5-17/h6-7,12,16-17,21-22,25H,1,3-5,8-11,13-14H2,2H3/t16-,21+,22-,23+/m0/s1
Canonical SMILES
C=C1CC(C)C2C3Cc4ccc(O)cc4C2(CCN3CC2CCC2)C1
Isomeric SMILES
C[C@H]1CC(=C)C[C@@]23[C@@H]1[C@@H](CC4=C2C=C(C=C4)O)N(CC3)CC5CCC5

Synonyms

  • Xorfanol
  • Xorphanolum
  • TR 5379
  • (1R,9R,10R,11S)-17-(cyclobutylmethyl)-11-methyl-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
  • N-(Cyclobutylmethyl)-8 beta-methyl-6-methylenemorphinan-3-ol
  • 9a-Cyclobutylmethyl-8beta-methyl-6-methylen-3-morphinanol
  • 17-(Cyclobutylmethyl)-8beta-methyl-6-methylenmorphinan-3-ol
  • PDSP2_000327
  • 17-(Cyclobutylmethyl)-8beta-methyl-6-methylenemorphinan-3-ol
  • Morphinan-3-ol, 17-(cyclobutylmethyl)-8-methyl-6-methylene-, (8beta)-

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
337.51 g/molcalc.
Exact mass
337.2406 Dacalc.
LogP (octanol/water)
4.66calc.
Topological polar surface area
23.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C=C1CCC2C3Cc4ccccc4C2(CCN3CC2CCC2)C1

C=C1CCC2C3Cc4ccccc4C2(CCN3CC2CCC2)C1

5 rings, 23 atoms.

1 other chemical 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.

Xorphanol suppliers

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Xorphanol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 Xorphanol 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 Xorphanol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Xorphanol?

Xorphanol is a chemical substance with the molecular formula C23H31NO and a molar mass of 337.51 g/mol. Its CAS registry number is 77287-89-9. The IUPAC name is (1R,9R,10R,11S)-17-(cyclobutylmethyl)-11-methyl-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol.

What is the CAS number of Xorphanol?

The CAS registry number of Xorphanol is 77287-89-9.

What is the molecular formula and weight of Xorphanol?

The molecular formula of Xorphanol is C23H31NO and its molar mass is 337.51 g/mol.

What is Xorphanol used for?

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

Is Xorphanol hazardous?

No GHS hazard classification for Xorphanol 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 Xorphanol?

Xorphanol 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 Xorphanol?

Post a free request on CompoundList and suppliers of Xorphanol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Xorphanol?

Suppliers quote Xorphanol 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 Xorphanol

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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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