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61361-34-0 molecular structure
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{3-[(4,6,13,15-2H4)-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]propyl}(methyl)amine hydrochloride

ChemBase ID: 166296
Molecular Formular: C18H23ClN2
Molecular Mass: 302.84162
Monoisotopic Mass: 302.15497643
SMILES and InChIs

SMILES:
N1(c2c(CCc3c1cccc3)cccc2)CCCNC.Cl
Canonical SMILES:
CNCCCN1c2ccccc2CCc2c1cccc2.Cl
InChI:
InChI=1S/C18H22N2.ClH/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;1H
InChIKey:
XAEWZDYWZHIUCT-UHFFFAOYSA-N

Cite this record

CBID:166296 http://www.chembase.cn/molecule-166296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{3-[(4,6,13,15-2H4)-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]propyl}(methyl)amine hydrochloride
IUPAC Traditional name
{3-[(4,6,13,15-2H4)-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]propyl}(methyl)amine hydrochloride
Synonyms
10,11-Dihydro-N-methyl-5H-dibenz[b,f]azepine-5-propanamine-d4
G-35020-d4
JB-8181-d4
NSc-114901-d4
Norpramin-d4
Nortimil-d4
Pertofran-d4
Pertofrane-d4
Petylyl-d4
Desipramine-2,4,6,8-d4 Hydrochloride
CAS Number
61361-34-0
PubChem SID
162260429
PubChem CID
45038863

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D290052 external link Add to cart
PubChem 45038863 external link
Data Source Data ID Price
TRC
D290052 external link Add to cart Please log in.
Data Source Data ID
PubChem 45038863 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.67586446  LogD (pH = 7.4) 1.3685079 
Log P 3.895521  Molar Refractivity 85.3109 cm3
Polarizability 32.8434 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
Beige Solid expand Show data source
Melting Point
>201°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D290052 external link
Labelled tricyclic antidepressant that is a more potent inhibitor of the norepinephrine transporter than the serotonin transporter.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Checkley, S.A, et al.: Br. J. Psychiatry, 138. 248 (1981)
  • • Zhu, M.Y., et al.: J. Neurochem., 70, 1547 (1981)
  • • Okugawa, G., et al.: J. Neuroindocrinol., 11, 887 (1981)
  • • Torres, G.E., et al.: Nat. Rev. Neurosci., 4, 13 (1981)
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PATENTS

PATENTS

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INTERNET

INTERNET

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