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Beta-Codeine

CAT: 1459-CS-O-57935Size: 1 EachDry Ice: NoHazardous: No
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Description
Beta-Codeine is listed under Impurity and is intended for research and analytical applications. It is associated with Codeine. 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
467-14-1
Synonyms
Beta-Codeine
Molecular Formula
C 18 H 21 NO 3
Molecular Weight
299.36
Additionnal Information
Beta-Codeine 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

Neopine

Neopine is a morphinane alkaloid that is the 8,14 isomer of codeine. It is a minor constituent in opium from Papaver somniferum. It is a morphinane alkaloid and an organic heteropentacyclic compound. It is a conjugate base of a neopine(1+).

CAS Number467-14-1
PubChem CID5462437
IUPAC Name(4R,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,6,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular FormulaC18H21NO3
Molecular Weight299.4
XLogP1.6
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity520
SMILES
CN1CC[C@]23[C@@H]4[C@H](CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)O
InChI
InChI=1S/C18H21NO3/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/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1
InChIKey
NNDKZTBFZTWKLA-QISBLDNZSA-N
Chemical Structure
2D Structure
2D structure of Neopine
CAS: 467-14-1
CID: 5462437
Formula: C18H21NO3
MW: 299.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass299.15214353
Monoisotopic Mass299.15214353
Topological Polar Surface Area41.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity520
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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