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Codeine D3

CAT: 1459-CS-T-56967Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-56967Size:1 Each
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Description
Codeine D3 is listed under Stable Isotopes 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
Present in opium from 0.7% to 2.5%, depending on the source. Weak narcotic analgesic, perhaps due to conversion to morphine, with minimal hypnotic properties; potent antitussive.
CAS Number
70420-71-2
Synonyms
Codeine D3
Molecular Formula
C 18 H 18 D 3 NO 3
Molecular Weight
302.4
Additionnal Information
Codeine D3 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
Present in opium from 0.7% to 2.5%, depending on the source. Weak narcotic analgesic, perhaps due to conversion to morphine, with minimal hypnotic properties; potent antitussive.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Codeine anhydrous, (N-methyl-d3)-
CAS Number70420-71-2
PubChem CID11066604
IUPAC Name(4R,4aR,7S,7aR,12bS)-9-methoxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular FormulaC18H21NO3
Molecular Weight302.4
XLogP1.1
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity509
SMILES
[2H]C([2H])([2H])N1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)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/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1/i1D3
InChIKey
OROGSEYTTFOCAN-SBGSAQJDSA-N
Chemical Structure
2D Structure
2D structure of Codeine anhydrous, (N-methyl-d3)-
CAS: 70420-71-2
CID: 11066604
Formula: C18H21NO3
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass302.17097377
Monoisotopic Mass302.17097377
Topological Polar Surface Area41.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity509
Isotope Atom Count3
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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