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Impurities and reference standards

Pholcodine monohydrate

Also known as Pholcodine, 3-(2-Morpholinoethyl)morphine monohydrate, Pholcodine (mart.)

CAS 6254-99-5Formula C23H32N2O5Molar mass 416.52 g/molEC 823-357-1
GHS signal word: Warning. Pictograms: Harmful or irritant Prohibited, not for trade
Why it is not for trade
Pholcodine monohydrate chemical structure, C23H32N2O5, CAS 6254-99-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6254-99-5
Formula
C23H32N2O5
Molar mass
416.52 g/mol
EC number
823-357-1
HS code
293499
Category
Impurities and reference standards

What is Pholcodine monohydrate?

Plain description, key identifiers and synonyms

Pholcodine monohydrate is a chemical substance with the molecular formula C23H32N2O5 and a molar mass of 416.52 g/mol. Its CAS registry number is 6254-99-5. The IUPAC name is (4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, hydrate
CAS number
6254-99-5
EC number
823-357-1
Molecular formula
C23H32N2O5
UNII
538VG8KNRX
InChIKey
VOMHFFCEDKOLBR-RNFKYSJUSA-N
InChI
InChI=1S/C23H30N2O4.H2O/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25;/h2-5,16-18,22,26H,6-14H2,1H3;1H2/t16-,17+,18-,22-,23-;/m0./s1
Canonical SMILES
CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5.O
Isomeric SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](C=C4)O.O

Synonyms

  • Pholcodine
  • 3-(2-Morpholinoethyl)morphine monohydrate
  • Pholcodine (mart.)
  • Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-3-(2-morpholinoethoxy)-, hydrate
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(2-(4-morpholinyl)ethoxy)-, hydrate (1:1), (5alpha,6alpha)-
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(2-(4-morpholinyl)ethoxy)-, monohydrate, (5alpha,6alpha)-
  • Pholcodine (ep impurity)
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(2-(4-morpholinyl)ethoxy)-, hydrate (1:1), (5alpha,6.alpha.)-
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(2-(4-morpholinyl)ethoxy)-, monohydrate, (5alpha,6.alpha.)-
  • Pholcodine monohydrate (ep monograph)
  • Pholcodine.monohydrate
  • Pholcodine, 7,8-Didehydro-4,5a-epoxy-17-methyl-3-[2-(morpholin-4-yl)ethoxy]morphinan-6a-ol monohydrate
  • Pholcodine.monohydrate, 1mg/ml in Methanol (as free base)
  • Pholcodine Monohydrate 0.1 mg/ml in Methanol (as anhydrous substance)
  • Pholcodine Monohydrate 1.0 mg/ml in Methanol (as anhydrous substance)
  • (4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, hydrate
  • 7,8-didehydro-4,5alpha-epoxy-17-methyl-3-[2-(morpholin-4-yl)ethoxy]morphinan-6alpha-ol monohydrate

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
416.52 g/molcalc.
Exact mass
416.2311 Dacalc.
LogP (octanol/water)
0.38calc.
Topological polar surface area
85.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
5calc.
Components
2calc.
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, C1=CC2C3Cc4ccc(OCCN5CCOCC5)c5c4C2(CCN3)C(C1)O5

C1=CC2C3Cc4ccc(OCCN5CCOCC5)c5c4C2(CCN3)C(C1)O5

6 rings, 27 atoms.

13 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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 aid

Pholcodine monohydrate suppliers

Trading restrictions apply to this substance

Controlled or monitored substance

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

Our policy on controlled substances

Pholcodine monohydrate 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

Controlled or monitored substance

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

Frequently asked questions

Quick answers about Pholcodine monohydrate, based on the data on this page

What is Pholcodine monohydrate?

Pholcodine monohydrate is a chemical substance with the molecular formula C23H32N2O5 and a molar mass of 416.52 g/mol. Its CAS registry number is 6254-99-5. The IUPAC name is (4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, hydrate.

What is the CAS number of Pholcodine monohydrate?

The CAS registry number of Pholcodine monohydrate is 6254-99-5.

What is the molecular formula and weight of Pholcodine monohydrate?

The molecular formula of Pholcodine monohydrate is C23H32N2O5 and its molar mass is 416.52 g/mol.

Is Pholcodine monohydrate hazardous?

Pholcodine monohydrate carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pholcodine monohydrate?

Pholcodine monohydrate 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 Pholcodine monohydrate on CompoundList?

No. Pholcodine monohydrate 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 Pholcodine monohydrate

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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