Lysergic acid alpha-hydroxyethylamide
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Formula: C18H21N3O2
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Molecular weight: 311.40
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Smiles: CC(NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C)O
Lysergic acid alpha-hydroxyethylamide
Names
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Mycotoxin name: Lysergic acid alpha-hydroxyethylamide
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First synonym: Lysergic acid alpha-hydroxyethylamide
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Synonyms: Lysergic acid alpha-hydroxyethylamide,3343-15-5,Lysergic acid methyl carbinolamide,(6aR,9R)-N-(1-hydroxyethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide,N-(alpha-Hydroxyethyl)lysergamide,EINECS 222-086-0,(S)-9,10-Didehydro-N-(1-hydroxyethyl)-6-methylergoline-8beta-carboxamide,SCHEMBL3190210,DTXSID10955057,Ergoline-8-carboxamide, 9,10-didehydro-N-(1-hydroxyethyl)-6-methyl-, (8-beta)-,Lysergamide, N-(1-hydroxyethyl)- (7CI),N-(1-Hydroxyethyl)-6-methyl-9,10-didehydroergoline-8-carboximidic acid
Identifiers / External links
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CAS: 3343-15-5
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PubChem CID: 134553
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ChemSpiderID: 118592
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ChEMBL: CHEMBL3190210
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CompTox Chemicals Dashboard (DTXSID): DTXSID10955057
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SCHEMBL: SCHEMBL3190210
Structure
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Smiles: CC(NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C)O
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Isomeric smiles: CC(NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C)O
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Inchi: InChI=1S/C18H21N3O2/c1-10(22)20-18(23)12-6-14-13-4-3-5-15-17(13)11(8-19-15)7-16(14)21(2)9-12/h3-6,8,10,12,16,19,22H,7,9H2,1-2H3,(H,20,23)/t10?,12-,16-/m1/s1
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Inchikey: WYTJZJPVCDWOOI-WPJLSRQMSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H21N3O2
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Molecular weight: 311.40
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Monoisotopic mass: 311.16337692
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Fungi
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Fungi id Species 496 Epichloe inebrians e818