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Zopiclone D8 N-Oxide

CAT: 1459-CS-O-13758Size: 1 EachDry Ice: NoHazardous: No
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Description
Zopiclone D8 N-Oxide is listed under Metabolite and is intended for research and analytical applications. It is associated with Zopiclone. 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
1215741-18-6
Synonyms
Zopiclone D8 N-Oxide
Molecular Formula
C 17 H 9 D 8 ClN 6 O 4
Molecular Weight
412.9
Additionnal Information
Zopiclone D8 N-Oxide 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

[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuterio-4-methyl-4-oxidopiperazin-4-ium-1-carboxylate
CAS Number1215741-18-6
PubChem CID45040709
IUPAC Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuterio-4-methyl-4-oxidopiperazin-4-ium-1-carboxylate
Molecular FormulaC17H17ClN6O4
Molecular Weight412.9
XLogP-0.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity616
SMILES
[2H]C1(C([N+](C(C(N1C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl)([2H])[2H])([2H])[2H])(C)[O-])([2H])[2H])[2H]
InChI
InChI=1S/C17H17ClN6O4/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/i6D2,7D2,8D2,9D2
InChIKey
IPTIKKTXLHVRKN-COMRDEPKSA-N
Chemical Structure
2D Structure
2D structure of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuterio-4-methyl-4-oxidopiperazin-4-ium-1-carboxylate
CAS: 1215741-18-6
CID: 45040709
Formula: C17H17ClN6O4
MW: 412.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.9
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass412.1501947
Monoisotopic Mass412.1501947
Topological Polar Surface Area107 Ų
Heavy Atom Count28
Formal Charge0
Complexity616
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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