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21B : Summary
Code
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21B
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One-letter code
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X
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Molecule name
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Nortriptyline
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Synonyms
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3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine
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Systematic names
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Formula
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C19 H21 N
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Formal charge
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0
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Molecular weight
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263.377 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c3cc2c(/C(c1c(cccc1)CC2)=C/CCNC)cc3 |
SMILES
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CACTVS |
3.385 |
CNCCC=C1c2ccccc2CCc3ccccc13 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CNCCC=C1c2ccccc2CCc3c1cccc3 |
Canonical SMILES
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CACTVS |
3.385 |
CNCCC=C1c2ccccc2CCc3ccccc13 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CNCCC=C1c2ccccc2CCc3c1cccc3 |
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IUPAC InChI | InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 |
IUPAC InChI key | PHVGLTMQBUFIQQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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41 (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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2013-08-14
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Last modified at
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2021-03-13
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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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