Celabenzine
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Celabenzine
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CAS No:
53938-08-2
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Formula:
C23H29N3O2
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Chemical Name:
Celabenzine
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Synonyms:
1,5,9-Triazacyclotridecan-4-one,9-benzoyl-2-phenyl-,(2S)-;1,5,9-Triazacyclotridecan-4-one,9-benzoyl-2-phenyl-,(S)-;(2S)-9-Benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one;Celabenzine;Celabenzene;(S)-Celabenzine
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CAS No:
Description
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spermidine alkaloid that is 2-phenyl-1,5,9-triazacyclotridecan-4-one in which the amino hydrogen at position 9 has been replaced by a benzoyl group.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.
Computed Properties
Molecular Weight:379.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:379.22597718
Monoisotopic Mass:379.22597718
Topological Polar Surface Area:61.4
Heavy Atom Count:28
Complexity:484
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes