General Information of the Compound
| Compound ID |
CP0069888
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| Compound Name |
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
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| Synonyms |
(8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide
9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-6-methylergoline-8-carboxamide
9,10-Didehydro-N-(alpha-(hydroxymethyl)propyl)-6-methyl-ergoline-8-beta-carboxamide
Basofortina
D-Lysergic acid-(+)-butanolamide-(2)
D-Lysergic acid-dl-hydroxybutylamide-2
Ergotyl
Ergotyl (TN)
Lysergic acid butanolamide
ME 277
Metenarin
Methergen
Methergin
Methergine
Methergine (TN)
Methylergobasin
Methylergobasine
Methylergobrevin
Methylergometrin
Methylergometrine
Methylergometrine (INN)
Methylergometrine [INN:BAN]
Methylergometrine maleate
Methylergometrinum
Methylergometrinum [INN-Latin]
Methylergonovin
Methylergonovine
Metilergometrina
Metilergometrina [DCIT]
Metilergometrinio
Metilergometrinio [INN-Spanish]
N-(alpha-(Hydroxymethyl)propyl)-D-lysergamide
Partergin
Ryegonovin
Spametrin-M
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| Structure |
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
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| InChI |
InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
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| InChIKey |
UNBRKDKAWYKMIV-QWQRMKEZSA-N
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| CAS |
29477-86-9
29589-73-9
479-03-8
78207-86-0
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00817, Cytochrome P450 2D6
Clinical Information about the Compound