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58503-82-5 molecular structure
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(2-{1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl}ethyl)(benzyl)methylamine

ChemBase ID: 126003
Molecular Formular: C26H26N2
Molecular Mass: 366.49804
Monoisotopic Mass: 366.20959884
SMILES and InChIs

SMILES:
c12ccccc1n1c3c(cccc3cc1CCN(Cc1ccccc1)C)CC2
Canonical SMILES:
CN(Cc1ccccc1)CCc1cc2c3n1c1ccccc1CCc3ccc2
InChI:
InChI=1S/C26H26N2/c1-27(19-20-8-3-2-4-9-20)17-16-24-18-23-12-7-11-22-15-14-21-10-5-6-13-25(21)28(24)26(22)23/h2-13,18H,14-17,19H2,1H3
InChIKey:
GMJAPDJBIOQXSW-UHFFFAOYSA-N

Cite this record

CBID:126003 http://www.chembase.cn/molecule-126003.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-{1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl}ethyl)(benzyl)methylamine
IUPAC Traditional name
azipramine
Synonyms
Azipramine
CAS Number
58503-82-5
PubChem SID
162220346
PubChem CID
65468
Chemspider ID
58920
Unique Ingredient Identifier
1P9L1B4UIC
Wikipedia Title
Azipramine

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0364852  LogD (pH = 7.4) 3.6269283 
Log P 5.5666  Molar Refractivity 128.3165 cm3
Polarizability 47.261875 Å3 Polar Surface Area 8.17 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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