U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C88H136N8O56S8
Molecular Weight 2458.561
Optical Activity UNSPECIFIED
Defined Stereocenters 48 / 48
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Amogammadex

SMILES

CC(=O)N[C@@H](CSC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CSC[C@H](NC(C)=O)C(O)=O)O[C@H](O[C@@H]4[C@@H](CSC[C@H](NC(C)=O)C(O)=O)O[C@H](O[C@@H]5[C@@H](CSC[C@H](NC(C)=O)C(O)=O)O[C@H](O[C@@H]6[C@@H](CSC[C@H](NC(C)=O)C(O)=O)O[C@H](O[C@@H]7[C@@H](CSC[C@H](NC(C)=O)C(O)=O)O[C@H](O[C@@H]8[C@@H](CSC[C@H](NC(C)=O)C(O)=O)O[C@H](O[C@@H]9[C@@H](CSC[C@H](NC(C)=O)C(O)=O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[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)C(O)=O

InChI

InChIKey=KVKTWRSAVHAYFI-RILGFENASA-N
InChI=1S/C88H136N8O56S8/c1-25(97)89-33(73(121)122)9-153-17-41-65-49(105)57(113)81(137-41)146-66-42(18-154-10-34(74(123)124)90-26(2)98)139-83(59(115)51(66)107)148-68-44(20-156-12-36(76(127)128)92-28(4)100)141-85(61(117)53(68)109)150-70-46(22-158-14-38(78(131)132)94-30(6)102)143-87(63(119)55(70)111)152-72-48(24-160-16-40(80(135)136)96-32(8)104)144-88(64(120)56(72)112)151-71-47(23-159-15-39(79(133)134)95-31(7)103)142-86(62(118)54(71)110)149-69-45(21-157-13-37(77(129)130)93-29(5)101)140-84(60(116)52(69)108)147-67-43(138-82(145-65)58(114)50(67)106)19-155-11-35(75(125)126)91-27(3)99/h33-72,81-88,105-120H,9-24H2,1-8H3,(H,89,97)(H,90,98)(H,91,99)(H,92,100)(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)/t33-,34-,35-,36-,37-,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+,70+,71+,72+,81+,82+,83+,84+,85+,86+,87+,88+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
amogammadex [INN]
Preferred Name English
Amogammadex
INN  
Official Name English
L-Cysteine, S,S?,S??,S???,S????,S?????,S??????,S???????-(6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-?-cyclodextrin-6A,6B,6C,6D,6E,6F,6G,6H-octayl)octakis[N-acetyl-
Systematic Name English
cyclooctakis-(1?4)-{6-S-[(2R)-2-acetamido-2-carboxyethyl]-6-thio-?-D-glucopyranosyl}
Systematic Name English
Code System Code Type Description
CAS
1309580-40-2
Created by admin on Wed Apr 02 20:16:24 GMT 2025 , Edited by admin on Wed Apr 02 20:16:24 GMT 2025
PRIMARY
FDA UNII
C22JN24UJ5
Created by admin on Wed Apr 02 20:16:24 GMT 2025 , Edited by admin on Wed Apr 02 20:16:24 GMT 2025
PRIMARY
NCI_THESAURUS
C211759
Created by admin on Wed Apr 02 20:16:24 GMT 2025 , Edited by admin on Wed Apr 02 20:16:24 GMT 2025
PRIMARY
INN
13147
Created by admin on Wed Apr 02 20:16:24 GMT 2025 , Edited by admin on Wed Apr 02 20:16:24 GMT 2025
PRIMARY