Mirabegron M14 (YM-554028)

cas: 1365244-68-3 — see every product listed under this CAS number, including other names

Mirabegron M14 (YM-554028) (CAS 1365244-68-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULM8619
cas1365244-68-3
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[4-[2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]oxane-2-carboxylic acid (CAS 1365244-68-3) is a chemical compound with the molecular formula C27H32N4O8S and a molecular weight of 572.6 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[4-[2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]oxane-2-carboxylic acid. InChIKey: YBQVFLMYXJIJCA-ZEJZDXSBSA-N.

Identity
Molecular formulaC27H32N4O8S
Molecular weight572.6 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[4-[2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]oxane-2-carboxylic acid
InChIKeyYBQVFLMYXJIJCA-ZEJZDXSBSA-N
SMILESC1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Mirabegron N-glucuronide, Mirabegron (m14), MirabegronN-Glucuronide, Mirabegron-N-glucuronide (M14), Mirabegron M14 (YM-554028)
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-6-[(1R)-2-[2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]ethylamino]-1-phenylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C27H32N4O8S

Also listed as

Mirabegron N-Glucuronide TRC CAS 1365244-68-3