Intermedine Impurity 3

cas: 685132-59-6 — see every product listed under this CAS number, including other names

Intermedine Impurity 3 (CAS 685132-59-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg. Offered by: Hubei YoungXin.

brandHubei YoungXin
catalog number62203I-10mg
cas685132-59-6
size10mg
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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properties

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

[(7R,8R)-7-acetyloxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate (CAS 685132-59-6) is a chemical compound with the molecular formula C17H27NO7 and a molecular weight of 357.4 g/mol. IUPAC name: [(7R,8R)-7-acetyloxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate. InChIKey: LQRKAEIDKZNCJO-MYWVZKBFSA-N.

Identity
Molecular formulaC17H27NO7
Molecular weight357.4 g/mol
IUPAC name[(7R,8R)-7-acetyloxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
InChIKeyLQRKAEIDKZNCJO-MYWVZKBFSA-N
SMILESC[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)C)[O-])O)O

Computed by PubChem (NCBI)

Synonyms: 7-Acetylintermedine N-oxide, 7-O-Acetylintermedine N-oxide, orb1992231
Isomers (same molecular formula)
tert-butyl 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate C17H27NO7
(2S)-1-[[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl]pyrrolidine-2-carboxylic acid C17H27NO7

Also listed as

7-Acetylintermedine N-oxide TRC CAS 685132-59-6