TAK 044

cas: 157380-72-8 — see every product listed under this CAS number, including other names

TAK 044 (CAS 157380-72-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

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.

Identity
Molecular formulaC44H49N9Na2O11S
Molecular weight958.0 g/mol
IUPAC namedisodium;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
InChIKeyQIBLMEZRKOPSMJ-OKENEAAASA-L
SMILESCCC[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+]

Computed by PubChem (NCBI)

Synonyms: Tak 044, Tak-044

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