| Identification | |
| Name: | trisodium (2S,3S,4S)-3-(carboxylatomethyl)-4-[(1Z,3E,5R)-5-carboxylato-1-methylhexa-1,3-dien-1-yl]pyrrolidine-2-carboxylate |
| Synonyms: | domoic acid;L-Domoic acid;HSDB 7242;NSC 288031;14277-97-5;BRN 5768789;3-Pyrrolidineacetic acid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-, (2S-(2-alpha,3-beta,4-beta(1Z,3E,5S*)))-;AC1NQZQG;C13732;Domoic Acid, Mytilus edulis;MLS000517259;D6152_SIGMA;CHEMBL1232313;C15H21NO6;CHEBI:41989;MolPort-003-932-997;HMS2268I07;56711-43-4 (hydrochloride salt);2 alpha-carboxy-4 beta-(5-carboxy-1-methyl-1,3 beta-hexadienyl)-3-pyrrolidineacetic acid;NCGC00024520-02;3-pyrrolidineacetic acid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-, (2S-(2 alpha,3 beta,4 beta(1E,3E,5R*)))-;SMR000127427;LS-137112;M02718;BRD-K52217427-001-02-3;(2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID;(2S,3S,4S)-3-(carboxymethyl)-4-[(2Z,4E,6R)-7-hydroxy-6-methyl-7-oxohepta-2,4-dien-2-yl]pyrrolidine-2-carboxylic acid;25-[2alpha, 3beta, 4beta (1Z, 3E, 5R)]-2-Carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-3-pyrrolidineacetic Acid;3-Pyrrolidineacetic acid, 2-carboxy-4-((1Z,3E,5R)-5-carboxy-1-methyl-1,3-hexadienyl)-, (2S,3S,4S)- |
| CAS: | 56711-43-4 |
| Molecular Formula: | C15H18NNa3O6 |
| Molecular Weight: | 377.2758 |
| InChI: | InChI=1/C15H21NO6.3Na/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18;;;/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22);;;/q;3*+1/p-3/b5-3+,8-4-;;;/t9-,10+,11-,13+;;;/m1.../s1 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 242.5 deg C |
| Flash Point: | 321°C |
| Boiling Point: | 607.2°C at 760 mmHg |
| Density: | 1.273g/cm3 |
| Solubility: | Soluble in water, dilute mineral acids and alkali hydroxide solutions. It is slightly soluble in methanol and ethanol and insoluble in petroleum ether and benzene. |
| Flash Point: | 321°C |
| Color: | Crystals from dimethyl formamide/water Colorless crystal needles |
| Safety Data | |
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