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

Details

Stereochemistry ABSOLUTE
Molecular Formula C78H140N11O34P
Molecular Weight 1806.9733
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEMDISIRAN, TERMINAL SUGAR MODIFICATION-

SMILES

[H][C@@]1(COP(O)(O)=O)C[C@@H](O)CN1C(=O)CCCCCCCCCCC(=O)NC(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)COCCC(=O)NCCCNC(=O)CCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O

InChI

InChIKey=LQRNAUZEMLGYOX-LZVIIAQDSA-N
InChI=1S/C78H140N11O34P/c1-50(93)85-66-72(108)69(105)55(43-90)121-75(66)117-35-15-12-21-58(97)79-29-18-32-82-61(100)26-38-114-47-78(88-64(103)24-10-8-6-4-5-7-9-11-25-65(104)89-42-54(96)41-53(89)46-120-124(111,112)113,48-115-39-27-62(101)83-33-19-30-80-59(98)22-13-16-36-118-76-67(86-51(2)94)73(109)70(106)56(44-91)122-76)49-116-40-28-63(102)84-34-20-31-81-60(99)23-14-17-37-119-77-68(87-52(3)95)74(110)71(107)57(45-92)123-77/h53-57,66-77,90-92,96,105-110H,4-49H2,1-3H3,(H,79,97)(H,80,98)(H,81,99)(H,82,100)(H,83,101)(H,84,102)(H,85,93)(H,86,94)(H,87,95)(H,88,103)(H2,111,112,113)/t53-,54+,55+,56+,57+,66+,67+,68+,69-,70-,71-,72+,73+,74+,75+,76+,77+/m0/s1

HIDE SMILES / InChI

Molecular Formula C78H140N11O34P
Molecular Weight 1806.9733
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:31:13 UTC 2023
Edited
by admin
on Sat Dec 16 11:31:13 UTC 2023
Record UNII
CQQ59545BV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEMDISIRAN, TERMINAL SUGAR MODIFICATION-
Common Name English
INCLISIRAN, TERMINAL SUGAR MODIFICATION-
Common Name English
Code System Code Type Description
FDA UNII
CQQ59545BV
Created by admin on Sat Dec 16 11:31:13 UTC 2023 , Edited by admin on Sat Dec 16 11:31:13 UTC 2023
PRIMARY
PUBCHEM
126480325
Created by admin on Sat Dec 16 11:31:13 UTC 2023 , Edited by admin on Sat Dec 16 11:31:13 UTC 2023
PRIMARY
CAS
1436858-07-9
Created by admin on Sat Dec 16 11:31:13 UTC 2023 , Edited by admin on Sat Dec 16 11:31:13 UTC 2023
PRIMARY