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Mirtazapine
CAS: 85650-52-8 | C17H19N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85650-52-8
Molecular Formula:
C17H19N3
Molecular Mass:
265.36 g/mol
Names and Synonyms:
Mirtazapine
Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine, 1,2,3,4,10,14b-hexahydro-2-methyl-
Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (±)-
1,2,3,4,10,14b-Hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepine
6-Azamianserin
Org 3770
Mepirzepine
Mirtazapine
Remergil
Remergon
Remeron
Rexer
Zispin
Mepirzapin
Promyrtil
Mirtazipine
Mirtazepine
Avanza
Mirtabene
Norset
Mirtaz 15
Remeron SolTab
Reflex
Zestat
Mirataz
Identifiers:
SMILES:
CN1CCN2c3ncccc3Cc3ccccc3C2C1
InChI:
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
Key Properties
Melting Point
114-116 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.36 g/mol | CAS Common Chemistry |
| 265.157897608 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=C2C1N3CCN(C)CC3C=4C=CC=CC4C2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RONZAEMNMFQXRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114-116 °C | CAS Common Chemistry |
| Name | Mirtazapine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 19.37 Ų | RDKit |
| LogP | 2.4789000000000003 | RDKit |
| Molar Refractivity | 81.06900000000005 | RDKit |
