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(R)-Zopiclone

CAT: 0572-TRC-Z700505-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z700505-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138680-08-7
Synonyms
1-Piperazinecarboxylic acid, 4-methyl-, 6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl ester, (R)-; 5H-Pyrrolo[3,4-b]pyrazine, 1-piperazinecarboxylic acid deriv.; (-)-Zopiclone; (R)-Zopiclone
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN1CCN(CC1)C(=O)O[C@H]2N(C(=O)c3nccnc23)c4ccc(Cl)cn4
Molecular Formula
C17 H17 Cl N6 O3
Molecular Weight
388.81
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/t16-/m1/s1
Additionnal Information
IUPAC name: [(7R)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(5R)-Zopiclone

(5R)-zopiclone is the (5R)-enantiomer of zopiclone. It is an enantiomer of an eszopiclone.

CAS Number138680-08-7
PubChem CID941731
IUPAC Name[(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
Molecular FormulaC17H17ClN6O3
Molecular Weight388.8
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
CN1CCN(CC1)C(=O)O[C@@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl
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/t16-/m1/s1
InChIKey
GBBSUAFBMRNDJC-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of (5R)-Zopiclone
CAS: 138680-08-7
CID: 941731
Formula: C17H17ClN6O3
MW: 388.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.8
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass388.1050661
Monoisotopic Mass388.1050661
Topological Polar Surface Area91.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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