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2,3,8,9-Tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene

HCID 98569
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
16584-62-6
Standard SMILES
COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1C
InChIKey
QEOWCPFWLCIQSL-UHFFFAOYSA-N
Molecular formula
C21H25NO4
Average molar mass
355.434 g/mol
Monoisotopic mass
355.17835828

Names & identifiers

Preferred name
2,3,8,9-Tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
IUPAC
2,3,8,9-Tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
English name
(5R)-5,6,11,12-Tetrahydro-2,3,8,9-tetramethoxy-N-methyldibenzo[a,e]cycloocten-5α,11α-imine
Molecular formula
C21H25NO4
Molecular weight
355.43

Names & synonyms

Nsc148822(5R)-5,6,11,12-Tetrahydro-2,3,8,9-tetramethoxy-N-methyldibenzo[a,e]cycloocten-5α,11α-imineDibenzo[a,e]cyclooctene-5,11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-, (5R,11R)-

Database identifiers

CAS
16584-62-6、5531-95-3、6901-16-2
PubChem CID
98569
DTXSID
DTXSID90937134
ChEMBL
CHEMBL1964569、CHEMBL486987
ChEBI
CHEBI:77060

Properties

Physicochemical properties

Boiling point
446.035 · 446.035±45.00 °C(Press: 760.00 Torr)(predicted)
Density
1.156 · 1.156±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
6.546 · 6.546±0.20(predicted)

Chemistry & industry

Additional notes

DefinitionChEBI: (+)-argemonine is the (+)-(R,R)-enantiomer of argemonine. It is an enantiomer of a (-)-argemonine.

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