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Mianserin Hydrochloride EP Impurity E

CAT: 1299-RM-M091405-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M091405-01Size:10 mg
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CAS Number
76134-77-5
Synonyms
1,2,3,4,10,14b-Hexahydro-dibenzo[c, f]pyrazino[1,2-a]azepine Monohydrochloride
Molecular Formula
C17H18N2*HCl
Molecular Weight
250.35*36.46
Target Alternative Name
Mianserin
Product Name Synonym
1,2,3,4,10,14b-Hexahydro-dibenzo[c, f]pyrazino[1,2-a]azepine Monohydrochloride

Chemical Information

1,2,3,4,10,14b-Hexahydrodibenzo-[8c,f]-pyrazino[1,2a]-azepin hydrochlorid
CAS Number76134-77-5
PubChem CID20287570
IUPAC Name2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride
Molecular FormulaC17H19ClN2
Molecular Weight286.8
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity316
SMILES
C1CN2C(CN1)C3=CC=CC=C3CC4=CC=CC=C42.Cl
InChI
InChI=1S/C17H18N2.ClH/c1-3-7-15-13(5-1)11-14-6-2-4-8-16(14)19-10-9-18-12-17(15)19;/h1-8,17-18H,9-12H2;1H
InChIKey
KVJGBZBVKLKGRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3,4,10,14b-Hexahydrodibenzo-[8c,f]-pyrazino[1,2a]-azepin hydrochlorid
CAS: 76134-77-5
CID: 20287570
Formula: C17H19ClN2
MW: 286.8
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight286.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass286.1236763
Monoisotopic Mass286.1236763
Topological Polar Surface Area15.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes