5-[2-[benzyl(methyl)amino]ethyl]-11-ethyl-6H-benzo[b][1]benzazepine-5-carboxamide;oxalic acid

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Basic information

CAS: 60067-46-1
Standard SMILES: CCN1c2ccccc2CC(CCN(C)Cc2ccccc2)(C(N)=O)c2ccccc21.O=C(O)C(=O)O
InChIKey: WDUPDLXBMQNDRW-UHFFFAOYSA-N
Molecular formula: C29H33N3O5
Average molar mass: 503.6 g/mol
Monoisotopic mass: 503.24202116

Names & identifiers

Preferred name: 5-[2-[benzyl(methyl)amino]ethyl]-11-ethyl-6H-benzo[b][1]benzazepine-5-carboxamide;oxalic acid
IUPAC: 5-[2-[benzyl(methyl)amino]ethyl]-11-ethyl-6H-benzo[b][1]benzazepine-5-carboxamide;oxalic acid

Names & synonyms

NSC29182760067-46-1SCHEMBL11840326DTXSID70315072NSC-291827Oxalic acid--10-{2-[benzyl(methyl)amino]ethyl}-5-ethyl-10,11-dihydro-5H-dibenzo[b,f]azepine-10-carboxamide (1/1)

Database identifiers

CAS: 60067-46-1
PubChem CID: 324867
DTXSID: DTXSID70315072

Properties

Computed structural properties

Topological polar surface area: 124 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 37
Formal charge: 0
Complexity: 661

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Compound notes

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