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- ChemComp-DSM: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: DSM
NameName: 3-(10,11-dihydro-5H-dibenzo[B,F]azepin-5-yl)-N-methylpropan-1-amine
Synonyms: Desipramine;Norpramin
Commentantidepressant, inhibitor*YM

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Chemical information

Composition
Formula: C18H22N2 / Number of atoms: 42 / Formula weight: 266.381 / Formal charge: 0
Others

2qju

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DSM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2QJU
History
Create componentJul 17, 2007
Modify descriptorJun 4, 2011
Modify synonymsSep 29, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04c1cc3c(cc1)CCc2c(cccc2)N3CCCNC
CACTVS 3.341CNCCCN1c2ccccc2CCc3ccccc13
OpenEye OEToolkits 1.5.0CNCCCN1c2ccccc2CCc3c1cccc3

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SMILES CANONICAL

CACTVS 3.341CNCCCN1c2ccccc2CCc3ccccc13
OpenEye OEToolkits 1.5.0CNCCCN1c2ccccc2CCc3c1cccc3

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InChI

InChI 1.03InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3

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InChIKey

InChI 1.03HCYAFALTSJYZDH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine
OpenEye OEToolkits 1.5.03-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine

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