(5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
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![(5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a52c2860961d49b2939ab3d6becc2274.png "(5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one")
(5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
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CAS No:
152833-13-1
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Formula:
C33H36N2O7
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Chemical Name:
(5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
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Synonyms:
4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin;DBADPTX;152833-13-1;Dbadptx;MLS000697720;CHEMBL31840;DTXSID20934611;4'-O-Demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin;NCGC00247634-01;5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((1-(phenylmethyl)-4-piperidinyl)amino)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one (5R-(5alpha,5abeta,8aalpha,9beta))-;SMR000445620;(5R)-9alpha-[(1-Benzylpiperidin-4-yl)amino]-5,8,8abeta,9-tetrahydro-5beta-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one;9-[(1-Benzylpiperidin-4-yl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((1-(phenylmethyl)-4-piperidinyl)amino)-, (5R-(5alpha,5abeta,8aalpha,9beta))-
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CAS No:
(5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one Basic Attributes
572.6 g/mol
572.25225149 g/mol
Computed Properties
Molecular Weight:572.6
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:572.25225149
Monoisotopic Mass:572.25225149
Topological Polar Surface Area:98.7
Heavy Atom Count:42
Complexity:910
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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