CAS Number
Molecular Formula
C72H112O48S9
Product format
Neat
Molecular Weight
2034.18
API Family
Synonyms
2412952-81-7; Mono-disulfide-Sugammadex; ATK8DCL7U6; Sugammadex sodium Org199074-1; Sugammadex Impurity Org199074-1
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, 50R, 51R, 52R, 53R, 54R, 55R, 56R)-25-[(2-carboxyethyldisulfanyl)methyl]-10, 15, 20, 30, 35, 40-hexakis(2-carboxyethylsulfanylmethyl)-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-5-yl]methylsulfanyl]propanoic acid
InChI
InChI=1S/C72H112O48S9/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(24-129-128-16-8-40(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)/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
