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Carbinoxamine Maleate
CAS: 3505-38-2 | C20H23ClN2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3505-38-2
Molecular Formula:
C20H23ClN2O5
Molecular Mass:
406.87 g/mol
Names and Synonyms:
Carbinoxamine Maleate
Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (2Z)-2-butenedioate (1:1)
Pyridine, 2-[p-chloro-α-[2-(dimethylamino)ethoxy]benzyl]-, maleate (1:1)
Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
Allergefon maleate
Carbinoxamine maleate
2-[p-Chloro-α-[2-(dimethylamino)ethoxy]benzyl]pyridine Bimaleate
2-[p-Chloro-α-[2-(dimethylamino)ethoxy]benzyl]pyridine maleate
Clistine Maleate
Paracarbinoxamine maleate
Cliston
Clistin
Rondec DM
Polistin T-Caps
Hislosine
Allergefon
Rondec
Ciberon
Lergefin
NSC 62362
Identifiers:
SMILES:
CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=CC(=O)O
InChI:
InChI=1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Key Properties
Melting Point
117-119 °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 | 406.87 g/mol | CAS Common Chemistry |
| 406.8660000000001 g/mol | RDKit | |
| 406.12954951599994 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=CC(=O)O.ClC1=CC=C(C=C1)C(OCCN(C)C)C2=NC=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | CAS Common Chemistry |
| InChI Key | InChIKey=GVNWHCVWDRNXAZ-BTJKTKAUSA-N | CAS Common Chemistry |
| Melting Point | 117-119 °C | CAS Common Chemistry |
| Name | Carbinoxamine maleate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 99.96 Ų | RDKit |
| LogP | 3.1144000000000007 | RDKit |
| Molar Refractivity | 106.4496000000001 | RDKit |
