(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol
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![(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/578a483ac77843588f58466cd4980090.png "(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol")
(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol
structure -
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CAS No:
5140-50-1
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Formula:
C19H21NO4
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Chemical Name:
(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol
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Synonyms:
1H-[1]Benzoxepino[2,3,4-ij]isoquinolin-6-ol,2,3,12,12a-tetrahydro-9,10-dimethoxy-1-methyl-,(12aS)-;Cularidine;1H-[1]Benzoxepino[2,3,4-ij]isoquinolin-6-ol,2,3,12,12a-tetrahydro-9,10-dimethoxy-1-methyl-,(S)-;(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol;(+)-Cularidine
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CAS No:
(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol Basic Attributes
327.38
327.37
Computed Properties
Molecular Weight:327.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:327.14705815
Monoisotopic Mass:327.14705815
Topological Polar Surface Area:51.2
Heavy Atom Count:24
Complexity:447
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol
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