Ticagrelor Related Compound 49

cas: 866551-95-3 — see every product listed under this CAS number, including other names

Ticagrelor Related Compound 49 (CAS 866551-95-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULT8165
cas866551-95-3
sizeon request
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Structural formula: {0} (CAS {1})

Ethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate (CAS 866551-95-3) is a chemical compound with the molecular formula C20H27NO7 and a molecular weight of 393.4 g/mol. IUPAC name: ethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate. InChIKey: LMOJGNUNTMQCBQ-MXSMSXNCSA-N.

Identity
Molecular formulaC20H27NO7
Molecular weight393.4 g/mol
IUPAC nameethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate
InChIKeyLMOJGNUNTMQCBQ-MXSMSXNCSA-N
SMILESCCOC(=O)CO[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)NC(=O)OCC3=CC=CC=C3

Computed by PubChem (NCBI)

Synonyms: Ticagrelor impurity 159
Isomers (same molecular formula)
(2S)-2-[[(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl]amino]pentanedioic acid C20H27NO7

Also listed as

Ticagrelor Impurity 159 Chemat Brand CAS 866551-95-3
Ethyl 2-(((3aR,4S,6R,6aS)-6-((Benzyloxycarbonyl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-yl)oxy)acetate, >95% (HPLC) TRC CAS 866551-95-3