methyl (1R,9R,16R,18R,21S)-2-formyl-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
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methyl (1R,9R,16R,18R,21S)-2-formyl-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
structure -
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CAS No:
2517-52-4
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Formula:
C23H28N2O4
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Chemical Name:
methyl (1R,9R,16R,18R,21S)-2-formyl-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
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Synonyms:
Refractin;2517-52-4;NSC78734;CHEMBL1981768;DTXSID70948026;NSC-78734;NCI60_041739;Methyl 1-formyl-17-methoxyaspidofractinine-21-carboxylate;Aspidofractinine-3-carboxylic acid, methyl ester, (2.alpha.,3.beta.,5.alpha.)-
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CAS No:
methyl (1R,9R,16R,18R,21S)-2-formyl-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate Basic Attributes
396.5 g/mol
396.20490738 g/mol
78734
Computed Properties
Molecular Weight:396.5
XLogP3:2.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:396.20490738
Monoisotopic Mass:396.20490738
Topological Polar Surface Area:59.1
Heavy Atom Count:29
Complexity:744
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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