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71936-92-0 molecular structure
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2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaene

ChemBase ID: 175690
Molecular Formular: C17H18N2
Molecular Mass: 250.33822
Monoisotopic Mass: 250.14699859
SMILES and InChIs

SMILES:
C1c2c(N3C(c4c1cccc4)CNCC3)cccc2
Canonical SMILES:
c1ccc2c(c1)Cc1ccccc1C1N2CCNC1
InChI:
InChI=1S/C17H18N2/c1-3-7-15-13(5-1)11-14-6-2-4-8-16(14)19-10-9-18-12-17(15)19/h1-8,17-18H,9-12H2
InChIKey:
ZBILSSSEXRZGKS-UHFFFAOYSA-N

Cite this record

CBID:175690 http://www.chembase.cn/molecule-175690.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaene
IUPAC Traditional name
2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaene
Synonyms
1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine
(+/-)-Demethylmianserin
Demethylmianserin
Desmethylmianserin
Normianserine
Nor Mianserin
CAS Number
71936-92-0
PubChem SID
164231600
PubChem CID
115194

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N736800 external link Add to cart
PubChem 115194 external link
Data Source Data ID Price
TRC
N736800 external link Add to cart Please log in.
Data Source Data ID
PubChem 115194 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4617046  LogD (pH = 7.4) 2.0015476 
Log P 3.4481497  Molar Refractivity 79.204 cm3
Polarizability 30.312325 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
Chloroform expand Show data source
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
87-89°C expand Show data source
Storage Condition
Refrigerator 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 - N736800 external link
The active metabolites of Miansein (M341500) in plasma, an antidepressant.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kent, J., et al.: Lancet, 355, 911 (2000)
  • • Maurer, H., et al.: Ther. Drug Monit., 24, 117 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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