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Codeine-D3 solution

CAT: 0926-FC63563-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FC63563-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70420-71-2
MDL Number
MFCD01075373
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
Controlled
Yes

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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