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Eslicarbazepine
CAS: 104746-04-5 | C15H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
104746-04-5
Molecular Formula:
C15H14N2O2
Molecular Mass:
254.29 g/mol
Names and Synonyms:
Eslicarbazepine
5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-hydroxy-, (10S)-
5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-hydroxy-, (S)-
(10S)-10,11-Dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamide
CGP 13751
(S)-(+)-10,11-Dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamide
Eslicarbazepine
(S)-Licarbazepine
Erelib
BIA 2-194
Stedesa
Pazzul
(S)-(+)-10,11-Dihydro-10-hydroxy-5H-dibenzo[b,f]azepine-5-carboxamide
(S)-10-Hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Identifiers:
SMILES:
N=C(O)N1c2ccccc2C[C@H](O)c2ccccc21
InChI:
InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1
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 | 254.29 g/mol | CAS Common Chemistry |
| 254.289 g/mol | RDKit | |
| 254.105527688 g/mol | RDKit | |
| Canonical SMILES | O=C(N)N1C=2C=CC=CC2CC(O)C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BMPDWHIDQYTSHX-AWEZNQCLSA-N | CAS Common Chemistry |
| Name | Eslicarbazepine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 67.55 Ų | RDKit |
| LogP | 2.906970000000001 | RDKit |
| Molar Refractivity | 74.04230000000003 | RDKit |
