(2S,3S,4R,6S,18R)-3,18-dimethoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
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![(2S,3S,4R,6S,18R)-3,18-dimethoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fd209e59f9d04459a1ef6970ebc116de.png "(2S,3S,4R,6S,18R)-3,18-dimethoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one")
(2S,3S,4R,6S,18R)-3,18-dimethoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
structure -
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CAS No:
125133-74-6
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Formula:
C29H28N4O4
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Chemical Name:
(2S,3S,4R,6S,18R)-3,18-dimethoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
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Synonyms:
7-O-methyl UCN-01;7-O-methyl-UCN 01;UCN-01-Me;7-O-Methyl ucn-01;DTXSID30925030;125133-74-6;8,14-Dimethoxy-9-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-16-ol
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CAS No:
(2S,3S,4R,6S,18R)-3,18-dimethoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one Basic Attributes
496.6 g/mol
496.21105539 g/mol
Computed Properties
Molecular Weight:496.6
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:496.21105539
Monoisotopic Mass:496.21105539
Topological Polar Surface Area:78.7
Heavy Atom Count:37
Complexity:951
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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