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Zopiclone-d8

CAT: 0572-TRC-Z700502-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z700502-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215518-83-4
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4)C1([2H])[2H]
Molecular Formula
C17H9D8ClN6O3
Molecular Weight
396.86
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo(3,4-b)pyrazin-7-yl) 2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazine-1-carboxylate
CAS Number1215518-83-4
PubChem CID45040708
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-methylpiperazine-1-carboxylate
Molecular FormulaC17H17ClN6O3
Molecular Weight396.9
XLogP0.5
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity573
SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl)([2H])[2H])[2H]
InChI
InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/i6D2,7D2,8D2,9D2
InChIKey
GBBSUAFBMRNDJC-COMRDEPKSA-N
Chemical Structure
2D Structure
2D structure of (6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo(3,4-b)pyrazin-7-yl) 2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazine-1-carboxylate
CAS: 1215518-83-4
CID: 45040708
Formula: C17H17ClN6O3
MW: 396.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.9
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass396.1552801
Monoisotopic Mass396.1552801
Topological Polar Surface Area91.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity573
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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