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53938-08-2

53938-08-2 Structure

53938-08-2 Structure
IdentificationBack Directory
[Name]

Celabenzine
[CAS]

53938-08-2
[Synonyms]

Celabenzine
9-Benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one
1,5,9-Triazacyclotridecan-4-one, 9-benzoyl-2-phenyl-, (2S)-
[Molecular Formula]

C23H29N3O2
[MOL File]

53938-08-2.mol
[Molecular Weight]

379.5
Chemical PropertiesBack Directory
[Occurrence]

A macrocyclic alkaloid, celabenzine occurs in the extract of Tripterygium wilfordii Hook. It furnishes colourless needles when crystallized from Me2CO.
[Boiling point ]

620.1±55.0 °C(Predicted)
[density ]

1.079±0.06 g/cm3(Predicted)
[pka]

16.05±0.40(Predicted)
Hazard InformationBack Directory
[Definition]

ChEBI: Celabenzine is a cyclic spermidine alkaloid that is 2-phenyl-1,5,9-triazacyclotridecan-4-one in which the amino hydrogen at position 9 has been replaced by a benzoyl group. It is a member of benzamides, a spermidine alkaloid, a lactam and an azamacrocycle.
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