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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H61NO28
Molecular Weight 955.8594
Optical Activity UNSPECIFIED
Defined Stereocenters 26 / 26
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYLEXIN

SMILES

[H][C@@]5(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)O[C@H](CO)[C@H]1O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O4)[C@@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O

InChI

InChIKey=OJVWCHCGJALQIL-BADDBONTSA-N
InChI=1S/C36H61NO28/c1-9-17(45)21(49)22(50)32(57-9)63-30-25(53)34(62-28-19(47)13(6-39)58-31(56-3)23(28)51)60-15(8-41)26(30)61-33-24(52)29(20(48)14(7-40)59-33)65-36(35(54)55)4-11(43)16(37-10(2)42)27(64-36)18(46)12(44)5-38/h9,11-34,38-41,43-53H,4-8H2,1-3H3,(H,37,42)(H,54,55)/t9-,11-,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,36-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CYLEXIN
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 77693
Created by admin on Sat Dec 16 13:06:11 UTC 2023 , Edited by admin on Sat Dec 16 13:06:11 UTC 2023
FDA ORPHAN DRUG 106297
Created by admin on Sat Dec 16 13:06:11 UTC 2023 , Edited by admin on Sat Dec 16 13:06:11 UTC 2023
Code System Code Type Description
FDA UNII
WLZ3BA9R26
Created by admin on Sat Dec 16 13:06:11 UTC 2023 , Edited by admin on Sat Dec 16 13:06:11 UTC 2023
PRIMARY
CAS
168678-84-0
Created by admin on Sat Dec 16 13:06:11 UTC 2023 , Edited by admin on Sat Dec 16 13:06:11 UTC 2023
PRIMARY
PUBCHEM
162623684
Created by admin on Sat Dec 16 13:06:11 UTC 2023 , Edited by admin on Sat Dec 16 13:06:11 UTC 2023
PRIMARY