Products 157380-72-8
CAS 157380-72-8 is the registry number for TAK 044. Offered by: MedChemExpress. Available pack sizes: Get quote.
Disodium;2-[(2R,5S,8S,11S,14S,17R)-8-(carboxylatomethyl)-17-(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-14-propyl-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetate (CAS 157380-72-8) is a chemical compound with the molecular formula C44H49N9Na2O11S and a molecular weight of 958.0 g/mol. IUPAC name: disodium;2-[(2R,5S,8S,11S,14S,17R)-8-(carboxylatomethyl)-17-(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-14-propyl-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetate. InChIKey: QIBLMEZRKOPSMJ-OKENEAAASA-L.
| Molecular formula | C44H49N9Na2O11S |
|---|---|
| Molecular weight | 958.0 g/mol |
| IUPAC name | disodium;2-[(2R,5S,8S,11S,14S,17R)-8-(carboxylatomethyl)-17-(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-14-propyl-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetate |
| InChIKey | QIBLMEZRKOPSMJ-OKENEAAASA-L |
| SMILES | CCC[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)C2=CC=CS2)CC(=O)[O-])CC(=O)N3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-])CC5=CNC6=CC=CC=C65.[Na+].[Na+] |
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