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

Details

Stereochemistry ABSOLUTE
Molecular Formula C50H81N11O16
Molecular Weight 1092.2422
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Basivarsen linker

SMILES

CC(C)[C@H](NC(=O)CCOCCOCCOCCN1N=NC2=C1CC[C@@H]3[C@H](COC(=O)NCCOCCOCCOCCOCCC(N)=O)[C@@H]3CC2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC4=CC=C(COC(N)=O)C=C4

InChI

InChIKey=BXUWIQTWHNDLIK-YXXZEEAUSA-N
InChI=1S/C50H81N11O16/c1-34(2)45(47(65)57-41(4-3-15-54-48(52)66)46(64)56-36-7-5-35(6-8-36)32-76-49(53)67)58-44(63)14-19-70-23-27-73-29-25-72-21-17-61-42-12-10-38-37(9-11-40(42)59-60-61)39(38)33-77-50(68)55-16-20-71-24-28-75-31-30-74-26-22-69-18-13-43(51)62/h5-8,34,37-39,41,45H,3-4,9-33H2,1-2H3,(H2,51,62)(H2,53,67)(H,55,68)(H,56,64)(H,57,65)(H,58,63)(H3,52,54,66)/t37-,38+,39-,41+,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula C50H81N11O16
Molecular Weight 1092.2422
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:40:07 GMT 2025
Edited
by admin
on Wed Apr 02 18:40:07 GMT 2025
Record UNII
G8X336ZZ83
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Basivarsen linker
Preferred Name English
Code System Code Type Description
FDA UNII
G8X336ZZ83
Created by admin on Wed Apr 02 18:40:07 GMT 2025 , Edited by admin on Wed Apr 02 18:40:07 GMT 2025
PRIMARY
CAS
2763758-01-4
Created by admin on Wed Apr 02 18:40:07 GMT 2025 , Edited by admin on Wed Apr 02 18:40:07 GMT 2025
PRIMARY
PUBCHEM
169490881
Created by admin on Wed Apr 02 18:40:07 GMT 2025 , Edited by admin on Wed Apr 02 18:40:07 GMT 2025
PRIMARY