| CAS Number | 952740-00-0 |
| Catalog Number | AG01E72P(AGN-PC-0WBNRZ) |
| Chemical Name | 10-(Acetyloxy)-5H-dibenz[b,f]azepine-5-carboxamide |
| IUPAC Name | (11-carbamoylbenzo[b][1]benzazepin-5-yl) acetate |
| InChI | InChI=1S/C17H14N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-10H,1H3,(H2,18,21) |
| InChI Key | BRJIUIARAQMVID-UHFFFAOYSA-N |
| Molecular Formula | C17H14N2O3 |
| Molecular Weight | 294.3047 |
| SMILES | O=C(OC1=CC=2C=CC=CC2N(C(=O)N)C=3C=CC=CC13)C |
| Synonyms | SCHEMBL12522033,
952740-00-0,
10-Acetoxy-5H-dibenz[b,f]azepine-5-carboxamide,
Dehydro Eslicarbazepine Acetate,
CS-O-16388,
(11-carbamoylbenzo[b][1]benzazepin-5-yl) acetate,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.31g/mol |
| Monoisotopic Mass | 294.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number