Mianserin Impurity 51

CAT: 1299-RM-M092451-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M092451-01Size:10 mg

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CAS Number

62510-46-7

Synonyms

2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c, f]pyrazino[1,2-a]azepine 2-oxide

Molecular Formula

C18H20N2O

Molecular Weight

280.37

Target Alternative Name

Mianserin

Product Name Synonym

2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c, f]pyrazino[1,2-a]azepine 2-oxide

Chemical Information

Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide

CAS Number	62510-46-7
PubChem CID	3085244
IUPAC Name	5-methyl-5-oxido-2-aza-5-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Molecular Formula	C18H20N2O
Molecular Weight	280.4
XLogP	2.8
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	387

SMILES

C[N+]1(CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42)[O-]

InChI

InChI=1S/C18H20N2O/c1-20(21)11-10-19-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(19)13-20/h2-9,18H,10-13H2,1H3

InChIKey

VVDXWJOYXVNLLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62510-46-7

CID: 3085244

Formula: C18H20N2O

MW: 280.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.4
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	280.157563266
Monoisotopic Mass	280.157563266
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes