| CAS Number | 1083065-04-6 |
| Catalog Number | AG008TLA(AGN-PC-0WH67D) |
| Chemical Name | 7-Amino-5-(4-Methoxybenzyl)-5H-Dibenzo[B,D]Azepin-6(7H)-One Hydrochloride |
| IUPAC Name | 7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one;hydrochloride |
| InChI | InChI=1S/C22H20N2O2.ClH/c1-26-16-12-10-15(11-13-16)14-24-20-9-5-4-7-18(20)17-6-2-3-8-19(17)21(23)22(24)25;/h2-13,21H,14,23H2,1H3;1H |
| InChI Key | CSJDPVXYLCCBDA-UHFFFAOYSA-N |
| MDL Number | MFCD28385908 |
| Molecular Formula | C22H21ClN2O2 |
| Molecular Weight | 380.8673 |
| SMILES | Cl.COc1ccc(CN2C(=O)C(N)c3ccccc3c4ccccc24)cc1 |
| Synonyms | 1083065-04-6,
7-Amino-5-(4-methoxybenzyl)-5H-dibenzo[b,d]azepin-6(7H)-one hydrochloride,
CSJDPVXYLCCBDA-UHFFFAOYSA-N,
SCHEMBL3854466,
CS-M2954,
AKOS030527715,
CS-14853,
7-amino-5-(4-methoxy-benzyl)-5H,7H-dibenzo[b,d]azepin-6-one hydrochloride,
6H-Dibenz[b,d]azepin-6-one, 7-amino-5,7-dihydro-5-[(4-methoxyphenyl)methyl]-, hydrochloride 1:1,
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| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.872g/mol |
| Monoisotopic Mass | 380.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number