(6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
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![(6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/66a6e635666b46e1b2591aee9937ef13.png "(6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide")
(6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
structure -
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CAS No:
34641-89-9
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Formula:
C25H27N5O5
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Chemical Name:
(6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
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Synonyms:
34641-89-9;12'-Hydroxyergotaman-3',6',18-trione;Ergotaman-3',6',18-trione, 12'-hydroxy-;DTXSID20956136;N-(10b-Hydroxy-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-6-methyl-9,10-didehydroergoline-8-carboximidic acid
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CAS No:
(6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide Basic Attributes
477.5 g/mol
477.20121898 g/mol
Computed Properties
Molecular Weight:477.5
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:477.20121898
Monoisotopic Mass:477.20121898
Topological Polar Surface Area:118
Heavy Atom Count:35
Complexity:1000
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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