CAS Number
Molecular Formula
C69H107BrO46S7
Product format
Neat
Molecular Weight
1976.89
API Family
Synonyms
2412952-86-2; Sugammadex Monobromo Impurity; Monobromo Imp Of Sugammadex; Sugammadex Impurity Org48301; Heptakis(6-S-(2-carboxyethyl)-6-thio)-mono(6-S-bromo)cyclomaltooctaose
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-(bromomethyl)-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/C69H107BrO46S7/c70-15-23-54-38(85)46(93)62(101-23)110-55-24(16-117-8-1-31(71)72)103-64(48(95)40(55)87)112-57-26(18-119-10-3-33(75)76)105-66(50(97)42(57)89)114-59-28(20-121-12-5-35(79)80)107-68(52(99)44(59)91)116-61-30(22-123-14-7-37(83)84)108-69(53(100)45(61)92)115-60-29(21-122-13-6-36(81)82)106-67(51(98)43(60)90)113-58-27(19-120-11-4-34(77)78)104-65(49(96)41(58)88)111-56-25(17-118-9-2-32(73)74)102-63(109-54)47(94)39(56)86/h23-30,38-69,85-100H,1-22H2,(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)/t23-,24-,25-,26-,27-,28-,29-,30-,38-,39-,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-/m1/s1
