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Details

Stereochemistry ABSOLUTE
Molecular Formula C80H140N13O35P
Molecular Weight 1875.0075
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMLIVIRSEN 5' MODIFICATION

SMILES

COCCO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OCCCCCCNC(=O)CCCC(=O)NC(COCCC(=O)NCCCCCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(COCCC(=O)NCCCCCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)COCCC(=O)NCCCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)O[C@H]1N5C=NC6=C5N=C(N)NC6=O

InChI

InChIKey=BVYLJZWYNYVWQC-MYKXWZGESA-N
InChI=1S/C80H140N13O35P/c1-49(97)87-61-69(109)65(105)52(41-94)126-76(61)120-32-18-10-5-6-14-29-83-57(101)25-36-116-45-80(46-117-37-26-58(102)84-30-15-7-11-19-33-121-77-62(88-50(2)98)70(110)66(106)53(42-95)127-77,47-118-38-27-59(103)85-31-16-8-12-20-34-122-78-63(89-51(3)99)71(111)67(107)54(43-96)128-78)92-60(104)24-22-23-56(100)82-28-17-9-13-21-35-123-129(113,114)124-44-55-68(108)72(119-40-39-115-4)75(125-55)93-48-86-64-73(93)90-79(81)91-74(64)112/h48,52-55,61-63,65-72,75-78,94-96,105-111H,5-47H2,1-4H3,(H,82,100)(H,83,101)(H,84,102)(H,85,103)(H,87,97)(H,88,98)(H,89,99)(H,92,104)(H,113,114)(H3,81,90,91,112)/t52-,53-,54-,55-,61-,62-,63-,65+,66+,67+,68-,69-,70-,71-,72-,75-,76-,77-,78-/m1/s1

HIDE SMILES / InChI

Molecular Formula C80H140N13O35P
Molecular Weight 1875.0075
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 19 / 20
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:51:59 GMT 2023
Edited
by admin
on Sat Dec 16 14:51:59 GMT 2023
Record UNII
Z81G1Z99W2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMLIVIRSEN 5' MODIFICATION
Common Name English
Code System Code Type Description
PUBCHEM
135564617
Created by admin on Sat Dec 16 14:51:59 GMT 2023 , Edited by admin on Sat Dec 16 14:51:59 GMT 2023
PRIMARY
FDA UNII
Z81G1Z99W2
Created by admin on Sat Dec 16 14:51:59 GMT 2023 , Edited by admin on Sat Dec 16 14:51:59 GMT 2023
PRIMARY