 Home > Encyclopedia > (6aR,9R)-N-[(1S,2S,4R)-7-[(2S)-butan-2-yl]-4-ethyl-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)-7-[(2S)-butan-2-yl]-4-ethyl-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)-7-[(2S)-butan-2-yl]-4-ethyl-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

CAS No:
65756-55-0
Formula:
C31H39N5O5
Chemical Name:
(6aR,9R)-N-[(1S,2S,4R)-7-[(2S)-butan-2-yl]-4-ethyl-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
Synonyms:
65756-55-0;DTXSID70984287;Ergotaman-3',6',18-trione, 2'-ethyl-12'-hydroxy-5'-(1-methylpropyl)-, (5'-alpha(S))- (9CI);N-[5-(Butan-2-yl)-2-ethyl-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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(6aR,9R)-N-[(1S,2S,4R)-7-[(2S)-butan-2-yl]-4-ethyl-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

Molecular Weight：

561.7 g/mol

Exact Mass：

561.29511936 g/mol

Characteristics

PSA：

118 Å²

Computed Properties

Molecular Weight:561.7
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:561.29511936
Monoisotopic Mass:561.29511936
Topological Polar Surface Area:118
Heavy Atom Count:41
Complexity:1160
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: thiamin mononitrate; sodium sulfide compound; benzoic acid sds; difenidol; ambroxol; aluminum phosphate formula

Guide of (6aR,9R)-N-[(1S,2S,4R)-7-[(2S)-butan-2-yl]-4-ethyl-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
Characteristics
Computed Properties

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