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

Details

Stereochemistry ABSOLUTE
Molecular Formula C89H152N16O36P.Na
Molecular Weight 2076.2083
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZILEBESIRAN 3'-ADENOSINE MODIFICATION SODIUM

SMILES

[Na+].CO[C@@H]1[C@H](OP([O-])(=O)OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCCCCCCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)COCCC(=O)NCCCNC(=O)CCCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](CO)O[C@H]1N6C=NC7=C(N)N=CN=C67

InChI

InChIKey=FUHMXNACFUZXIQ-ZHSRMXMESA-M
InChI=1S/C89H153N16O36P.Na/c1-54-75(121)78(124)71(100-55(2)109)86(137-54)133-37-17-14-23-63(113)91-31-20-34-94-66(116)28-40-130-49-89(50-131-41-29-67(117)95-35-21-32-92-64(114)24-15-18-38-134-87-72(101-56(3)110)79(125)76(122)60(45-106)139-87,51-132-42-30-68(118)96-36-22-33-93-65(115)25-16-19-39-135-88-73(102-57(4)111)80(126)77(123)61(46-107)140-88)103-69(119)26-12-10-8-6-7-9-11-13-27-70(120)104-44-59(112)43-58(104)48-136-142(127,128)141-81-62(47-108)138-85(82(81)129-5)105-53-99-74-83(90)97-52-98-84(74)105;/h52-54,58-62,71-73,75-82,85-88,106-108,112,121-126H,6-51H2,1-5H3,(H,91,113)(H,92,114)(H,93,115)(H,94,116)(H,95,117)(H,96,118)(H,100,109)(H,101,110)(H,102,111)(H,103,119)(H,127,128)(H2,90,97,98);/q;+1/p-1/t54-,58+,59-,60-,61-,62-,71-,72-,73-,75+,76+,77+,78-,79-,80-,81-,82-,85-,86-,87-,88-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C89H152N16O36P
Molecular Weight 2053.2185
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 21 / 21
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:00:58 GMT 2023
Edited
by admin
on Sat Dec 16 19:00:58 GMT 2023
Record UNII
DJ674LG53M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZILEBESIRAN 3'-ADENOSINE MODIFICATION SODIUM
Common Name English
L96 (N-ACETYLGALACTOSAMINE (GALNAC) CONTAINING) 3'-ADENOSINE MODIFICATION SODIUM
Common Name English
ZILEBESIRAN 3'-MODIFICATION SODIUM
Common Name English
Code System Code Type Description
FDA UNII
DJ674LG53M
Created by admin on Sat Dec 16 19:00:58 GMT 2023 , Edited by admin on Sat Dec 16 19:00:58 GMT 2023
PRIMARY
PUBCHEM
155907821
Created by admin on Sat Dec 16 19:00:58 GMT 2023 , Edited by admin on Sat Dec 16 19:00:58 GMT 2023
PRIMARY