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(+)-Methadone chemical structure, C21H27NO, CAS 5653-80-5
2D chemical structure

Key facts

What buyers check first

CAS number
5653-80-5
Formula
C21H27NO
Molar mass
309.45 g/mol
EC number
637-187-9
HS code
292239
Category
Impurities and reference standards

What is (+)-Methadone?

Plain description, key identifiers and synonyms

Dextromethadone is a 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (S)-configuration. It is the less active enantiomer of methadone and has very little activity on opioid receptors and mainly responsible for the inhibition of hERG K+ channels and thus for cardiac toxicity. The drug is currently under clinical development for the treatment of major depressive disorder. It has a role as an opioid analgesic and a NMDA receptor antagonist. It is an enantiomer of a levomethadone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one
CAS number
5653-80-5
EC number
637-187-9
Molecular formula
C21H27NO
UNII
S95RZH8AMH
InChIKey
USSIQXCVUWKGNF-KRWDZBQOSA-N
InChI
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1
Canonical SMILES
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
Isomeric SMILES
CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

Synonyms

  • Dextromethadone
  • S-Methadone
  • (S)-methadone
  • L-(+)-Methadone
  • S-(+)-Methadone
  • (S)-(+)-Methadone
  • (S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone
  • d-6-(Dimethylamino)-4,4-diphenyl-3-heptanone
  • d-Methadone
  • 6S-Methadone
  • (6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one
  • (6S)-Methadone
  • Esmethadone
  • Methadone, (+)-
  • (+)-(6S)-Methadone
  • Esmethadone (USAN)
  • 3-heptanone, 6-(dimethylamino)-4,4-diphenyl-, (6S)-
  • Esmetadona
  • (+)-(S)-Methadone
  • (S)-6-(dimethylamino)-4,4-diphenylheptan-3-one
  • (6S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone
  • 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (S)-
  • WHO 11978
  • Levomethadone Hydrochloride EP Impurity A
  • (S)-6-Dimethylamino4,4-diphenylheptan-3-on
Show all 28 synonyms
  • (+)-(S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone
  • 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (6S)- (9CI)
  • 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (S)- (8CI)

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
309.45 g/molcalc.
Exact mass
309.2093 Dacalc.
LogP (octanol/water)
4.29calc.
Topological polar surface area
20.31 ร…ยฒcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
1calc.
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(Cc2ccccc2)cc1

c1ccc(Cc2ccccc2)cc1

2 rings, 13 atoms, the Diphenylmethane ring system.

8,982 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.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (26)
  • 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.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • 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.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: 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.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

(+)-Methadone suppliers

Trading restrictions apply to this substance

Narcotic drug

(+)-Methadone is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961, HS 2022 subheading 2922.31 (methadone and related analgesics)

Our policy on controlled substances

(+)-Methadone 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

  • NMDA receptor antagonist
  • analgesic
  • antagonist
  • antidepressant
  • central nervous system drug
  • excitatory amino acid antagonist
  • opioid analgesic
  • pharmaceutical
  • psychotropic drug

Regulatory status

Inventories, regulations and trade controls that list this substance

Narcotic drug

(+)-Methadone is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961, HS 2022 subheading 2922.31 (methadone and related analgesics)

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 (+)-Methadone is traded under.

HS 2922.39Indicative HS code

Amino-aldehydes, amino-ketones and amino-quinones, other than those containing more thanโ€ฆ

World exports in 2024
$187M
โˆ’0.3% vs 2023, imports $159M
2019 to 2024
Top exporters
  1. China35.3%
  2. India * partner reported27.7%
  3. Germany12.7%
Top importers
  1. Germany17.3%
  2. United States13.8%
  3. India * partner reported9.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about (+)-Methadone, based on the data on this page

What is (+)-Methadone?

Dextromethadone is a 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (S)-configuration. It is the less active enantiomer of methadone and has very little activity on opioid receptors and mainly responsible for the inhibition of hERG K+ channels and thus for cardiac toxicity.

What is the CAS number of (+)-Methadone?

The CAS registry number of (+)-Methadone is 5653-80-5.

What is the molecular formula and weight of (+)-Methadone?

The molecular formula of (+)-Methadone is C21H27NO and its molar mass is 309.45 g/mol.

What is (+)-Methadone used for?

Known uses and roles of (+)-Methadone include nmda receptor antagonist, analgesic, antagonist, antidepressant, central nervous system drug and 4 more.

Is (+)-Methadone hazardous?

(+)-Methadone carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes skin irritation, may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of (+)-Methadone?

(+)-Methadone is usually classified under HS code 292239 (Amino-aldehydes, amino-ketones and amino-quinones, other than those containing more thanโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Can I buy (+)-Methadone on CompoundList?

No. (+)-Methadone 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 (+)-Methadone

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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