(1S,8R,9S)-1-[3-(methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
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![(1S,8R,9S)-1-[3-(methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c54949173d7f46e3b7b50df26fbcef14.png "(1S,8R,9S)-1-[3-(methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol")
(1S,8R,9S)-1-[3-(methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
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CAS No:
5154-92-7
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Formula:
C19H21NO2
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Chemical Name:
(1S,8R,9S)-1-[3-(methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
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Synonyms:
MK 940;MK 940, (cis)-isomer;MK 940, maleate (1:1), (5alpha,10alpha,11beta)-isomer;MK-940;trans-10,11-dihydro-5,10-epoxy-5-(3-(methylamino)propyl)-5H-dibenzo(a,d)cyclohepten-11-ol hydrogen maleate;MK 940;5154-92-7;DTXSID60965863;trans-10,11-Dihydro-5,10-epoxy-5-(3-(methylamino)propyl)-5H-dibenzo(a,d)cyclohepten-11-ol hydrogen maleate;5-[3-(Methylamino)propyl]-10,11-dihydro-5H-5,10-epoxydibenzo[a,d][7]annulen-11-ol;(5alpha,10alpha,11beta)-10,11-Dihydro-5-(3-(methylamino)propyl)-5,10-epoxy-5H-dibenzo(a,d)cyclohepten-11-0l, (Z)-2-butenedioate (1:1) salt
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CAS No:
(1S,8R,9S)-1-[3-(methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol Basic Attributes
295.4 g/mol
295.157228913 g/mol
Computed Properties
Molecular Weight:295.4
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:295.157228913
Monoisotopic Mass:295.157228913
Topological Polar Surface Area:41.5
Heavy Atom Count:22
Complexity:401
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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