 Home > Encyclopedia > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-4-ethyl-2-hydroxy-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-4-ethyl-2-hydroxy-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-4-ethyl-2-hydroxy-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide structure

CAS No:
35167-84-1
Formula:
C30H39N5O5
Chemical Name:
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-4-ethyl-2-hydroxy-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Synonyms:
dihydroergonine;Dihydroergonine;35167-84-1;DTXSID60956610;2'-Ethyl-9,10-dihydro-12'-hydroxy-5'-(1-methylethyl)ergotaman-3',6',18-trione;N-[2-Ethyl-10b-hydroxy-3,6-dioxo-5-(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8-carboximidic acid

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(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-4-ethyl-2-hydroxy-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide Basic Attributes

Molecular Weight：

549.7 g/mol

Exact Mass：

549.29511936 g/mol

Characteristics

PSA：

118 Å²

Drug Information

MeSH Entry Terms：

dihydroergonine

Computed Properties

Molecular Weight:549.7
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:549.29511936
Monoisotopic Mass:549.29511936
Topological Polar Surface Area:118
Heavy Atom Count:40
Complexity:1090
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2-naphthol reacting with naoh formula; h2sio3 ra sio2; phenol red; epistane; pbso4; formula nh3

Guide of (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-4-ethyl-2-hydroxy-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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