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Codeine Impurity A

CAT: 1459-CS-DH-00017Size: 1 EachDry Ice: NoHazardous: No
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Description
Codeine Impurity A 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
2859-16-7
Synonyms
Codeine Impurity A
Molecular Formula
C 19 H 23 NO 3
Molecular Weight
313.4
Additionnal Information
Codeine Impurity A 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

Codeine methyl ether

impurity found in semi-synthetic codeine base; structure given in first source; RN given refers to parent cpd 5alpha,6alpha-isomer; RN for cpd without isomeric designation not avail 4/91

CAS Number2859-16-7
PubChem CID5492619
IUPAC Name(4R,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Molecular FormulaC19H23NO3
Molecular Weight313.4
XLogP1.7
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity523
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OC
InChI
InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey
HGPQAWTZLJXCTC-SSTWWWIQSA-N
Chemical Structure
2D Structure
2D structure of Codeine methyl ether
CAS: 2859-16-7
CID: 5492619
Formula: C19H23NO3
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass313.16779360
Monoisotopic Mass313.16779360
Topological Polar Surface Area30.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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