Antitumor agent-196

cas: 2705841-17-2 — see every product listed under this CAS number, including other names

Antitumor agent-196 (CAS 2705841-17-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2705841-17-2
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Structural formula: {0} (CAS {1})

2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-N,N-bis[2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethyl]ethanamine (CAS 2705841-17-2) is a chemical compound with the molecular formula C51H81NO15 and a molecular weight of 948.2 g/mol. IUPAC name: 2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-N,N-bis[2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethyl]ethanamine. InChIKey: WBQLDWVKPMSOFZ-RECMAGEZSA-N.

Identity
Molecular formulaC51H81NO15
Molecular weight948.2 g/mol
IUPAC name2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-N,N-bis[2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethyl]ethanamine
InChIKeyWBQLDWVKPMSOFZ-RECMAGEZSA-N
SMILESC[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCCN(CCO[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@@](CC7)(OO8)C)C)C)CCO[C@@H]9[C@@H]([C@@H]1CC[C@H]([C@H]2[C@]11[C@H](O9)O[C@@](CC2)(OO1)C)C)C)C

Computed by PubChem (NCBI)

Synonyms: Antitumor agent-196, orb2945045

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