 Home > Encyclopedia > (6aR,9R)-N-[(1S,2S,4R,7R)-7-ethyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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,7R)-7-ethyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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,7R)-7-ethyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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:
82564-36-1
Formula:
C30H37N5O5
Chemical Name:
(6aR,9R)-N-[(1S,2S,4R,7R)-7-ethyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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:
82564-36-1;Ergobutyrine;Ergotaman-3',6',18-trione, 5'-ethyl-12'-hydroxy-2'-(1-methylethyl)-, (5'alpha)-;DTXSID501002789;N-[5-Ethyl-10b-hydroxy-3,6-dioxo-2-(propan-2-yl)octahydro-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,7R)-7-ethyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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：

547.6 g/mol

Exact Mass：

547.27946930 g/mol

Characteristics

PSA：

118 Å²

Computed Properties

Molecular Weight:547.6
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:547.27946930
Monoisotopic Mass:547.27946930
Topological Polar Surface Area:118
Heavy Atom Count:40
Complexity:1140
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: mmdma; 40000/20; nitrohydrochloric acid; echemi; silver fulminate; amytal sodium

Guide of (6aR,9R)-N-[(1S,2S,4R,7R)-7-ethyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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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