Sugammadex Sodium

Analyte Name

Sugammadex Sodium

CAS Number

343306-79-6

Molecular Formula

C72H104O48S8.8Na

Molecular Weight

2178.00

Accurate Mass

2176.2644

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](CSCCC(=O)[O-])[C@@H](O[C@H]4O[C@H](CSCCC(=O)[O-])[C@@H](O[C@H]5O[C@H](CSCCC(=O)[O-])[C@@H](O[C@H]6O[C@H](CSCCC(=O)[O-])[C@@H](O[C@H]7O[C@H](CSCCC(=O)[O-])[C@@H](O[C@H]8O[C@H](CSCCC(=O)[O-])[C@@H](O[C@H]9O[C@H](CSCCC(=O)[O-])[C@@H](O[C@H]1O[C@@H]2CSCCC(=O)[O-])[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

InChI

InChI=1S/C72H112O48S8.8Na/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90;;;;;;;;/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88);;;;;;;;/q;8*+1/p-8/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-;;;;;;;;/m1......../s1

Alternate CAS Number

Deleted: 862667-16-1; 1202253-72-2; Free base: 343306-71-8

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Sugammadex

Purity

>95% (HPLC)