Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O |
|---|---|
| IUPAC Name | (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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;methanesulfonic acid |
| InChIKey | NOJMTMIRQRDZMT-GSPXQYRGSA-N |
| INCHI | 1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1 |
| Isómeros SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O |
| CAS alternativo | 25614-03-3 |
| Peso molecular | 750.7 |
| Reaxy-Rn | 4115238 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4115238&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Clase | Ergoline and derivatives |
| Subclass | Lysergic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lysergamides |
| Alternative Parents | Indoloquinolines Benzoquinolines Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Aralkylamines N-alkylpiperazines Aryl bromides Benzenoids Substituted pyrroles Oxazolidinones Organosulfonic acids Alkanesulfonic acids Sulfonyls Heteroaromatic compounds Pyrrolidines Methanesulfonates Tertiary carboxylic acid amides Trialkylamines Lactams Orthocarboxylic acid derivatives Alkanolamines Carboximidic acids Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organobromides |
| Molecular Framework | Not available |
| Substituents | Lysergic acid amide - Indoloquinoline - Benzoquinoline - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Oxazolidinone - Piperazine - Substituted pyrrole - Benzenoid - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Methanesulfonate - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Sulfonyl - Oxazolidine - Orthocarboxylic acid derivative - Amino acid or derivatives - Carboxamide group - Tertiary amine - Lactam - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Alkanolamine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as lysergamides. These are amides of Lysergic acids. |
| External Descriptors | methanesulfonate salt |
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| Sensibilidad | light sensitive |
|---|---|
| Peso molecular | 750.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 749.209 Da |
| Monoisotopic Mass | 749.209 Da |
| Topological Polar Surface Area | 181.000 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1320.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Weidong Xu, Shasha Tian, Guanqun Mao, Yu Li, Hua Qian, Wenhua Tao. (2024) Sini San ameliorates lipid metabolism in hyperprolactinemia rat with liver-depression. Current Research in Food Science, [PMID:39328388] [10.1016/j.crfs.2024.100853] |
| 2. Shiyan Liu, Xuefeng Zhang, Xin Gong, Jinxin Yu, Tao Lin, Qian Xiang, Xinnian Zeng, Jiali Liu. (2025) molecular and pharmacological characterization of the dopamine receptors in the oriental fruit fly, Bactrocera dorsalis. INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY, [PMID:40245998] [10.1016/j.ibmb.2025.104312] |