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Heterocyclic building blocks

Codeine phosphate hemihydrate

Also known as Codeine phosphate hydrate, Codeine.phosphate.hemihydrate, (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, phosphoric acid, hydrate

CAS 41444-62-6Formula C36H50N2O15P2Molar mass 812.74 g/molEC 639-473-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Serious health hazard Prohibited, not for trade
Why it is not for trade
Codeine phosphate hemihydrate chemical structure, C36H50N2O15P2, CAS 41444-62-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
41444-62-6
Formula
C36H50N2O15P2
Molar mass
812.74 g/mol
EC number
639-473-9
HS code
293499
Category
Heterocyclic building blocks

What is Codeine phosphate hemihydrate?

Plain description, key identifiers and synonyms

Codeine phosphate hemihydrate is a chemical substance with the molecular formula C36H50N2O15P2 and a molar mass of 812.74 g/mol. Its CAS registry number is 41444-62-6. The IUPAC name is bis((4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol), phosphoric acid, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis((4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol), phosphoric acid, hydrate
CAS number
41444-62-6 CAS number cross-checked
EC number
639-473-9
Molecular formula
C36H50N2O15P2
UNII
GSL05Y1MN6
InChIKey
DKSZLDSPXIWGFO-BLOJGBSASA-N
InChI
InChI=1S/2C18H21NO3.2H3O4P.H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2*1-5(2,3)4;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;2*(H3,1,2,3,4);1H2/t2*11-,12+,13-,17-,18-;;;/m00.../s1
Canonical SMILES
COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341.COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341.O.O=P(O)(O)O.O=P(O)(O)O
Isomeric SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.OP(=O)(O)O.OP(=O)(O)O

Synonyms

  • Codeine phosphate hydrate
  • Codeine.phosphate.hemihydrate
  • (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, phosphoric acid, hydrate
  • 7,8-Didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol phosphate (1:1) (salt) hemihydrate
  • Codeine phosphate anhydrous
  • Codeine phosphate
  • Codeine phosphate (USP)
  • Codeine (phosphate hydrate)
  • Soma Compound (+) Codeine
  • Codeine phosphate hydrate (JP18)
  • Codeine phosphate cii
  • Codeini phosphas
  • Codrix component codeine phosphate
  • Ambenyl component codeine phosphate
  • bis((4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol) bis(phosphate) hydrate
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (salt), hydrate (2:2:1)
  • Bromanyl component codeine phosphate
  • Triacin-c component codeine phosphate
  • Dimetane-dc component codeine phosphate
  • Bromanate dc component codeine phosphate
  • Myphetane dc component codeine phosphate
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6.alpha.)-, phosphate (1:1) (salt), hemihydrate
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1:1) (salt), hemihydrate
  • Phosphoric acid--3-methoxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-6alpha-ol--water (2/2/1)

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
812.74 g/molcalc.
Exact mass
812.2686 Dacalc.
LogP (octanol/water)
0.32calc.
Topological polar surface area
270.9 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
2calc.
Heavy atoms
55calc.
Rings
10calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
5calc.
Lipinski rule of five
Fails (2 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=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5

C1=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5

5 rings, 18 atoms.

246 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H317May cause an allergic skin reaction.
  • H332Harmful if inhaled.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
  • H361Suspected of damaging fertility or the unborn child.
Precautionary statements (23)
  • P203Obtain, read and follow all safety instructions before use.
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • 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.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403Store in a well-ventilated place.
  • 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 aid

Codeine phosphate hemihydrate suppliers

Trading restrictions apply to this substance

Controlled or monitored substance

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

Our policy on controlled substances

Codeine phosphate hemihydrate 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

Roles

  • analgesic
  • anti-HIV agent
  • antimicrobial agent
  • antispasmodic drug
  • antitussive
  • antiviral agent
  • muscle relaxant
  • neuromuscular agent
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

Controlled or monitored substance

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

Frequently asked questions

Quick answers about Codeine phosphate hemihydrate, based on the data on this page

What is Codeine phosphate hemihydrate?

Codeine phosphate hemihydrate is a chemical substance with the molecular formula C36H50N2O15P2 and a molar mass of 812.74 g/mol. Its CAS registry number is 41444-62-6.

What is the CAS number of Codeine phosphate hemihydrate?

The CAS registry number of Codeine phosphate hemihydrate is 41444-62-6.

What is the molecular formula and weight of Codeine phosphate hemihydrate?

The molecular formula of Codeine phosphate hemihydrate is C36H50N2O15P2 and its molar mass is 812.74 g/mol.

What is Codeine phosphate hemihydrate used for?

Known uses and roles of Codeine phosphate hemihydrate include building blocks in research and laboratory, analgesic, anti-hiv agent, antimicrobial agent, antispasmodic drug and 5 more.

Is Codeine phosphate hemihydrate hazardous?

Codeine phosphate hemihydrate carries the GHS signal word "Danger". Main hazards: toxic if swallowed, may cause an allergic skin reaction, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Codeine phosphate hemihydrate?

Codeine phosphate hemihydrate 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 Codeine phosphate hemihydrate on CompoundList?

No. Codeine phosphate hemihydrate 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 Codeine phosphate hemihydrate

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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