(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
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![(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ec50bf53436a4c7fb558c1249ec26028.png "(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine")
(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
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CAS No:
119813-87-5
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Formula:
C18H26N2O3S
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Chemical Name:
(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
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Synonyms:
5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino(2,1-g)(1,6)naphthyridine;5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino(2,1-g)(1,6)naphthyridine, (8aR-(8aalpha,12aalpha,13aalpha))-isomer;5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino(2,1-g)(1,6)naphthyridine, (8aS-(8aalpha,12aalpha,13aalpha))-isomer;Delequamine;delequamine hydrochloride;DMMIN;RS 15385;RS 15385-197;RS-15385;RS-15385-197;Delequamine;UNII-L37HF85G8S;RS 15385-197;119813-87-5;L37HF85G8S;RS-15385-197;DMMIN;(8aR,12aS,13aS)-3-methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquinolino[2,1-g][1,6]naphthyridine;Delequamine [INN];RS 15385;RS-15385;CHEMBL163911;SCHEMBL7602236;ZINC597368;BDBM50229179;(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine;5,8,8a,9,10,11,12,12a,13,13a-Decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino(2,1-g)(1,6)naphthyridine;Q27282649;(8aR,12aS,13aS)-3-methoxy-12-methanesulfonyl-5,6,8a,9,10,11,12,12a,13,13a-decahydro-8H-isoquino[2,1-g][1,6]naphthyridine;6H-Isoquino(2,1-g)(1,6)naphthyridine, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-, (8aalpha,12aalpha,13aalpha)- (+-)-;6H-isoquino[2,1-g][1,6]naphthyridine, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-, (8aR,12aS,13aS)-;rel-(8aR,12aS,13aS)-3-methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquino[2,1-g]-1,6-naphthyridine
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CAS No:
(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine Basic Attributes
350.5 g/mol
350.16641387 g/mol
L37HF85G8S
Drug Information
5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino(2,1-g)(1,6)naphthyridine
Computed Properties
Molecular Weight:350.5
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:350.16641387
Monoisotopic Mass:350.16641387
Topological Polar Surface Area:58.2
Heavy Atom Count:24
Complexity:561
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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