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(+) -N-Desmethyl Tramadol-d3

CAT: 1459-CS-T-97613Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-97613Size:1 Each
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Description
(+) -N-Desmethyl Tramadol-d3 is listed under Metabolite and is intended for research and analytical applications. It is associated with Tramadol. 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
" (+) -N-Desmethyl Tramadol-d3 is the isotope labelled analog of (+) -N-Desmethyl Tramadol (D294725) ; an optically active metabolite of Tramadol (T712500, HCl) which is an analgesic."
CAS Number
1261395-92-9
Synonyms
(+) -N-Desmethyl Tramadol-d3
Molecular Formula
C 15 H 20 D 3 NO 2
Molecular Weight
252.37
Additionnal Information
(+) -N-Desmethyl Tramadol-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
" (+) -N-Desmethyl Tramadol-d3 is the isotope labelled analog of (+) -N-Desmethyl Tramadol (D294725) ; an optically active metabolite of Tramadol (T712500, HCl) which is an analgesic."
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

(+)-N-Desmethyl Tramadol-d3
CAS Number1261395-92-9
PubChem CID49849455
IUPAC Namecis-(1R,2R)-1-(3-methoxyphenyl)-2-[(trideuteriomethylamino)methyl]cyclohexan-1-ol
Molecular FormulaC15H23NO2
Molecular Weight252.37
XLogP2.7
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity259
SMILES
[2H]C([2H])([2H])NC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1/i1D3
InChIKey
VUMQHLSPUAFKKK-RSGFOGQCSA-N
Chemical Structure
2D Structure
2D structure of (+)-N-Desmethyl Tramadol-d3
CAS: 1261395-92-9
CID: 49849455
Formula: C15H23NO2
MW: 252.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight252.37
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass252.191709214
Monoisotopic Mass252.191709214
Topological Polar Surface Area41.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity259
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes