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Details

Stereochemistry ABSOLUTE
Molecular Formula C78H140N11O33P
Molecular Weight 1790.9739
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZILEBESIRAN 3'-MODIFICATION

SMILES

C[C@H]1O[C@@H](OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)NC(=O)CCCCCCCCCCC(=O)N4C[C@H](O)C[C@H]4COP(O)(O)=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O

InChI

InChIKey=KZTBJWQKUNPIRK-NCAQKEARSA-N
InChI=1S/C78H140N11O33P/c1-50-69(104)72(107)66(85-51(2)92)75(120-50)116-36-16-13-22-58(96)79-30-19-33-82-61(99)27-39-113-47-78(88-64(102)25-11-9-7-5-6-8-10-12-26-65(103)89-43-55(95)42-54(89)46-119-123(110,111)112,48-114-40-28-62(100)83-34-20-31-80-59(97)23-14-17-37-117-76-67(86-52(3)93)73(108)70(105)56(44-90)121-76)49-115-41-29-63(101)84-35-21-32-81-60(98)24-15-18-38-118-77-68(87-53(4)94)74(109)71(106)57(45-91)122-77/h50,54-57,66-77,90-91,95,104-109H,5-49H2,1-4H3,(H,79,96)(H,80,97)(H,81,98)(H,82,99)(H,83,100)(H,84,101)(H,85,92)(H,86,93)(H,87,94)(H,88,102)(H2,110,111,112)/t50-,54+,55-,56-,57-,66-,67-,68-,69+,70+,71+,72-,73-,74-,75-,76-,77-/m1/s1

HIDE SMILES / InChI

Molecular Formula C78H140N11O33P
Molecular Weight 1790.9739
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:08:20 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:20 GMT 2023
Record UNII
UM4X8S48E7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZILEBESIRAN 3'-MODIFICATION
Common Name English
Code System Code Type Description
PUBCHEM
155804729
Created by admin on Sat Dec 16 18:08:20 GMT 2023 , Edited by admin on Sat Dec 16 18:08:20 GMT 2023
PRIMARY PUBCHEM
FDA UNII
UM4X8S48E7
Created by admin on Sat Dec 16 18:08:20 GMT 2023 , Edited by admin on Sat Dec 16 18:08:20 GMT 2023
PRIMARY