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Methadone

CAT: 1459-CS-EK-00664Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-EK-00664Size:1 Each
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Description
Methadone is listed under API and is intended for research and analytical applications. It is associated with Methadone. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
76-99-3
Synonyms
Methadone
Molecular Formula
C 21 H 27 NO
Molecular Weight
309.45
Additionnal Information
Methadone is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Methadone

Methadone is a racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction. It has a role as an opioid analgesic, a xenobiotic, a serotonin uptake inhibitor, a mu-opioid receptor agonist, a NMDA receptor antagonist and an environmental contaminant. It contains a levomethadone and a dextromethadone.

CAS Number76-99-3
PubChem CID4095
IUPAC Name6-(dimethylamino)-4,4-diphenylheptan-3-one
Molecular FormulaC21H27NO
Molecular Weight309.4
XLogP3.9
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity346
SMILES
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
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
InChIKey
USSIQXCVUWKGNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methadone
CAS: 76-99-3
CID: 4095
Formula: C21H27NO
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass309.209264485
Monoisotopic Mass309.209264485
Topological Polar Surface Area20.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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