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DSM : Summary
Code
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DSM
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One-letter code
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X
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Molecule name
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3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE
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Synonyms
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Desipramine
Norpramin
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Systematic names
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Formula
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C18 H22 N2
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Formal charge
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0
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Molecular weight
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266.381 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
c1cc3c(cc1)CCc2c(cccc2)N3CCCNC |
SMILES
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CACTVS |
3.341 |
CNCCCN1c2ccccc2CCc3ccccc13 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CNCCCN1c2ccccc2CCc3c1cccc3 |
Canonical SMILES
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CACTVS |
3.341 |
CNCCCN1c2ccccc2CCc3ccccc13 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CNCCCN1c2ccccc2CCc3c1cccc3 |
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IUPAC InChI | InChI=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 |
IUPAC InChI key | HCYAFALTSJYZDH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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42 (20 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2007-07-17
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Last modified at
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2020-09-29
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Status
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Released
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Obsoleted
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Not Assigned
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