for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-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;2,3-dihydroxybutanedioic acid |
| InChIKey | CJMJLDQKTOJACI-SEUSHGJOSA-N |
| INCHI | 1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H, |
| Isómeros SMILES | C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O |
| Peso molecular | 1313.4 |
| Reaxy-Rn | 6562972 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6562972&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Clase | Ergoline and derivatives |
| Subclass | Lysergic acids and derivatives |
| Intermediate Tree Nodes | Ergopeptines |
| Direct Parent | Ergotamines, dihydroergotamines, and derivatives |
| Alternative Parents | Hybrid peptides Dipeptides Lysergamides Indoloquinolines Benzoquinolines Quinoline-3-carboxamides Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Aralkylamines Sugar acids and derivatives Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives N-alkylpiperazines Alpha hydroxy acids and derivatives Fatty acids and conjugates Oxazolidinones Benzene and substituted derivatives Dicarboxylic acids and derivatives Monosaccharides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Pyrrolidines 1,2-diols Trialkylamines Secondary carboxylic acid amides Secondary alcohols Orthocarboxylic acid derivatives Lactams Alkanolamines Oxacyclic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Ergotamine - Hybrid peptide - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - 3-alkylindole - Quinoline - Indole - Indole or derivatives - Isoindole or derivatives - Sugar acid - Aralkylamine - N-alkylpiperazine - Short-chain hydroxy acid - Beta-hydroxy acid - Alpha-hydroxy acid - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydroxy acid - Fatty acid - Monosaccharide - Benzenoid - Oxazolidinone - Piperazine - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Oxazolidine - Orthocarboxylic acid derivative - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Lactam - Tertiary aliphatic amine - 1,2-diol - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Alkanolamine - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as ergotamines, dihydroergotamines, and derivatives. These are organic compounds containing an ergotamine moiety, which is structurally characterized by a benzyl substituent attached to the piperazine ring of the ergopeptine backbone. |
| External Descriptors | Not available |
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