Zopiclone Impurity 17 DiHCl

CAT: 1596-AR-Z01438-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Z01438-01Size:10 Units

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CAS Number

53788-47-9

Synonyms

1-methylpiperazine 1-oxide, hydrochloride (1:2)

Molecular Formula

C5H12N2O. 2 HCl

Molecular Weight

116.16 2*36.46

API Name

Zopiclone

Chemical Information

1-Methylpiperazine-1-oxide dihydrochloride

CAS Number	53788-47-9
PubChem CID	13787500
IUPAC Name	1-methyl-1-oxidopiperazin-1-ium;dihydrochloride
Molecular Formula	C5H14Cl2N2O
Molecular Weight	189.08
Topological Polar Surface Area	30.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	78

SMILES

C[N+]1(CCNCC1)[O-].Cl.Cl

InChI

InChI=1S/C5H12N2O.2ClH/c1-7(8)4-2-6-3-5-7;;/h6H,2-5H2,1H3;2*1H

InChIKey

LYYJNIJGFUROOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53788-47-9

CID: 13787500

Formula: C5H14Cl2N2O

MW: 189.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.08
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	188.0483185
Monoisotopic Mass	188.0483185
Topological Polar Surface Area	30.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	78.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
AR-C02350-01	Cetirizine Impurity 17 DiHCl
AR-D07027-01	Difelikefalin Impurity 17 DiHCl
AR-U01364-01	Urapidil Impurity 17 DiHCl
AR-E10314-01	Ertapenem Impurity 17 DiHCl
AR-P33405-01	Pyridoxine Impurity 17 DiHCl
AR-L07467-01	Linezolid Impurity 17 DiHCl
AR-C07049-01	Cetirizine Impurity 17 DiHCl (Mixture of Cetirizine Impurity 9 DiHCl and Cetirizine Impurity 10 DiHCl)
AR-Z01172-01	Zopiclone EP Impurity A (Zopiclone N-Oxide)
AR-Z01179-01	Zopiclone Impurity 3
AR-Z01448-01	Zopiclone Impurity 25