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N-Desmethylzopiclone

CAT: 0572-TRC-D296770-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D296770-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59878-63-6
Synonyms
1-Piperazinecarboxylic acid, 6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl ester5H-Pyrrolo[3,4-b]pyrazine, 1-piperazinecarboxylic acid deriv.; Desmethylzopiclone; N-Demethylzopiclone; N-Desmethyl zopiclone; Norzopiclone; RP 32273
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Clc1ccc(nc1)N2C(OC(=O)N3CCNCC3)c4nccnc4C2=O
Molecular Formula
C16 H15 Cl N6 O3
Molecular Weight
374.78
InChI
InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2
Additionnal Information
IUPAC name: [6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Desmethylzopiclone
CAS Number59878-63-6
PubChem CID162892
IUPAC Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
Molecular FormulaC16H15ClN6O3
Molecular Weight374.78
XLogP0
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity546
SMILES
C1CN(CCN1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl
InChI
InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2
InChIKey
CGSFZSTXVVJLIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethylzopiclone
CAS: 59878-63-6
CID: 162892
Formula: C16H15ClN6O3
MW: 374.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.78
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass374.0894161
Monoisotopic Mass374.0894161
Topological Polar Surface Area101 Ų
Heavy Atom Count26
Formal Charge0
Complexity546
Isotope Atom Count0
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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