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(Q82901202)
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English
N,N'-(6,12-Diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis[2-(piperidin-1-yl)ethanimidic acid]
group of stereoisomers with the chemical formula C₄₀H₄₂N₆O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
638.336924584
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₀H₄₂N₆O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(CN1CCCCC1)Nc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(NC(=O)CN3CCCCC3)cc1C(c1ccccc1)=N2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C40H42N6O2/c47-37(27-45-21-9-3-10-22-45)41-31-17-19-35-33(25-31)39(29-13-5-1-6-14-29)43-36-20-18-32(42-38(48)28-46-23-11-4-12-24-46)26-34(36)40(44-35)30-15-7-2-8-16-30/h1-2,5-8,13-20,25-26H,3-4,9-12,21-24,27-28H2,(H,41,47)(H,42,48)/b39-33-,40-34-,43-36?,43-39?,44-35?,44-40?
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InChIKey
PQIMYWBIGWAWPQ-KLCUQMKPSA-N
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CAS Registry Number
130189-73-0
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PubChem CID
5747738
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
DSSTox substance ID
DTXSID70926627
0 references
DSSTOX compound identifier
DTXCID901355437
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