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57262-94-9 molecular structure
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4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8(13),9,11,15,17-heptaene

ChemBase ID: 129449
Molecular Formular: C19H19N
Molecular Mass: 261.36086
Monoisotopic Mass: 261.15174961
SMILES and InChIs

SMILES:
c12c(C3=C(c4ccccc4C1)CN(C)CC3)cccc2
Canonical SMILES:
CN1CCC2=C(C1)c1ccccc1Cc1c2cccc1
InChI:
InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
InChIKey:
GVPIXRLYKVFFMK-UHFFFAOYSA-N

Cite this record

CBID:129449 http://www.chembase.cn/molecule-129449.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8(13),9,11,15,17-heptaene
4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),8(13),9,11,16,18-heptaene
IUPAC Traditional name
setiptiline
4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),8(13),9,11,16,18-heptaene
Synonyms
Setiptiline
2,3,4,9-Tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine
Org 8282
MO-8282
Teciptilline
CAS Number
57262-94-9
57262-94-9
PubChem SID
162223743
PubChem CID
5205
Chemspider ID
5016
KEGG ID
D08511
Unique Ingredient Identifier
7L38105Z6E
Wikipedia Title
Setiptiline

DATA SOURCES

DATA SOURCES

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TRC
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0490625  LogD (pH = 7.4) 3.662107 
Log P 3.9848669  Molar Refractivity 85.5259 cm3
Polarizability 32.823284 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
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DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - S280800 external link
Setiptiline is a tetracyclic antidepressant. Setiptiline acts as a noradrenergic and specific serotonergic antidepressant (NaSSA).

REFERENCES

REFERENCES

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  • • Niho, T. et al.: Yak. Chir., 14, 4625 (1986)
  • • Tohda, M. et al.: Eur. J. Pharmacol., 166, 57 (1986)
  • • Przegalinski, E. et al.: Pol. J. Pharmacol. Pharm., 38, 377 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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