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Codeinone

CAT: 1459-CS-ED-00557Size: 1 EachDry Ice: NoHazardous: No
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Description
Codeinone is listed under API and is intended for research and analytical applications. It is associated with Hydrocodone. 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
467-13-0
Synonyms
Codeinone
Molecular Formula
C 18 H 19 NO 3
Molecular Weight
297.4
Additionnal Information
Codeinone 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 complete information.

Chemical Information

Codeinone

Codeinone is an isoquinoline alkaloid. It is functionally related to a morphine. It is a conjugate base of a codeinone(1+).

CAS Number467-13-0
PubChem CID5459910
IUPAC Name(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC18H19NO3
Molecular Weight297.3
XLogP2.2
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity546
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)C=C4
InChI
InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
InChIKey
XYYVYLMBEZUESM-CMKMFDCUSA-N
Chemical Structure
2D Structure
2D structure of Codeinone
CAS: 467-13-0
CID: 5459910
Formula: C18H19NO3
MW: 297.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.3
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass297.13649347
Monoisotopic Mass297.13649347
Topological Polar Surface Area38.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FC16660-01Codeinone
TRC-H922200-10MG14-Hydroxy Codeinone
AR-C05439-0110-Hydroxy Codeinone
TRC-KIT3830-1X1MLCodeinone (1.0mg/ml in Acetonitrile)
TRC-D452320-1MG8Beta,14-Dihydroxy-7,8-dihydro Codeinone
TRC-KIT4325-1X1ML8beta,14-Dihydroxy-7,8-dihydro Codeinone (1mg/ml in Acetonitrile)

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