Sugammadex Impurity 48

cas: 2412953-12-7 — see every product listed under this CAS number, including other names

Sugammadex Impurity 48 (CAS 2412953-12-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULS082053
cas2412953-12-7
sizeon request
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purityNo data
categoryChemicals
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3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,51R,53R,54R,55R,56R)-10,15,20,30,35,40-hexakis(2-carboxyethylsulfanylmethyl)-25-(2-carboxyethylsulfinylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoic acid (CAS 2412953-12-7) is a chemical compound with the molecular formula C72H112O49S8 and a molecular weight of 2018.2 g/mol. IUPAC name: 3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,51R,53R,54R,55R,56R)-10,15,20,30,35,40-hexakis(2-carboxyethylsulfanylmethyl)-25-(2-carboxyethylsulfinylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoic acid. InChIKey: UDOKSJKXWJNGPK-JAYARVMOSA-N.

Identity
Molecular formulaC72H112O49S8
Molecular weight2018.2 g/mol
IUPAC name3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,51R,53R,54R,55R,56R)-10,15,20,30,35,40-hexakis(2-carboxyethylsulfanylmethyl)-25-(2-carboxyethylsulfinylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoic acid
InChIKeyUDOKSJKXWJNGPK-JAYARVMOSA-N
SMILESC(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H](C([C@H]6O)O)O[C@@H]7[C@H](O[C@@H](C([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CS(=O)CCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Sugammadex diastereomer 2 sulfoxide, Sugammadex sulfoxide diastereomer-2, Mono Oxidation Sugammadex(Org199425-1)
Related forms of this compound
3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,49R,50R,51R,52R,53R,54R,56R)-10,15,20,30,35,40-hexakis(2-carboxyethylsulfanylmethyl)-25-(2-carboxyethylsulfinylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoic acid C72H112O49S8

Also listed as

Sugammadex sulfoxide diastereomer-2 Biosynth CAS 2412953-12-7