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Mianserin impurity-1

CAT: 0804-HY-164229Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-164229Size:1 Each
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Description
Rosuvastatin impurity-1 is a reference substance of rosuvastatin impurities.
CAS Number
73771-03-6
UNSPSC
12352005
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/mianserin-impurity-1.html
Smiles
ClC(CN(CC(C1=CC=CC=C1)Cl)C)C2=CC=CC=C2.Cl
Molecular Formula
C17H20Cl3N
Molecular Weight
344.71
References & Citations
[1]Snodin, et al. McCrossen. Guidelines and pharmacopoeial standards for pharmaceutical impurities: overview and critical assessment. Regulatory Toxicology and Pharmacology 63.2 (2012) : 298-312.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Phenethylamine, N-methyl-N-(beta-chlorophenethyl)-, hydrochloride
CAS Number73771-03-6
PubChem CID3056381
IUPAC Name2-chloro-N-(2-chloro-2-phenylethyl)-N-methyl-2-phenylethanamine;hydrochloride
Molecular FormulaC17H20Cl3N
Molecular Weight344.7
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity234
SMILES
CN(CC(C1=CC=CC=C1)Cl)CC(C2=CC=CC=C2)Cl.Cl
InChI
InChI=1S/C17H19Cl2N.ClH/c1-20(12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15;/h2-11,16-17H,12-13H2,1H3;1H
InChIKey
INFKDABQXOERKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenethylamine, N-methyl-N-(beta-chlorophenethyl)-, hydrochloride
CAS: 73771-03-6
CID: 3056381
Formula: C17H20Cl3N
MW: 344.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass343.066133
Monoisotopic Mass343.066133
Topological Polar Surface Area3.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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