CAS Number
Molecular Formula
C71H113NO46S7.7Na
Product format
Neat
Molecular Weight
1941.07 7*22.99
API Family
Synonyms
2412952-96-4; Dimethyl Amino Sugammadex; Sugammadex Impurity 56; F2T53B7MZL; Org198786-1; Sugammadex Sodium Impurity Org198786-1
Iupac Name
heptasodium;3-[[(1S, 3S, 5S, 6S, 8S, 10S, 11S, 13S, 15S, 16S, 18S, 20S, 21S, 23S, 25S, 26S, 28S, 30S, 31S, 33S, 35S, 36S, 38R, 40R, 41R, 42R, 43R, 44R, 45R, 46R, 47R, 48R, 49R, 50R, 51R, 52R, 53R, 54R, 55R, 56R)-5, 10, 15, 20, 25, 30-hexakis(2-carboxylatoethylsulfanylmethyl)-40-[(dimethylamino)methyl]-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 and 36]hexapentacontan-35-yl]methylsulfanyl]propanoate
InChI
InChI=1S/C71H113NO46S7.7Na/c1-72(2)17-25-56-40(87)48(95)64(103-25)112-57-26(18-119-10-3-33(73)74)105-66(50(97)42(57)89)114-59-28(20-121-12-5-35(77)78)107-68(52(99)44(59)91)116-61-30(22-123-14-7-37(81)82)109-70(54(101)46(61)93)118-63-32(24-125-16-9-39(85)86)110-71(55(102)47(63)94)117-62-31(23-124-15-8-38(83)84)108-69(53(100)45(62)92)115-60-29(21-122-13-6-36(79)80)106-67(51(98)43(60)90)113-58-27(19-120-11-4-34(75)76)104-65(111-56)49(96)41(58)88;;;;;;;/h25-32,40-71,87-102H,3-24H2,1-2H3,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86);;;;;;;/q;7*+1/p-7/t25-,26-,27-,28-,29-,30-,31-,32-,40-,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-;;;;;;;/m1......./s1
