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

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H62N8O21S4.4Na
Molecular Weight 1307.266
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASTODRIMER SODIUM MODIFIED TETRALYSINE

SMILES

[Na+].[Na+].[Na+].[Na+].N[C@@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCCCNC(=O)COC1=C2C=CC(=CC2=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O)NC(=O)COC3=C4C=CC(=CC4=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O)C(O)=O

InChI

InChIKey=WQXQJVVJRKVZLL-NUYRXTMUSA-J
InChI=1S/C48H66N8O21S4.4Na/c49-37(46(60)54-19-7-3-11-39(51)48(62)63)9-1-5-18-53-45(59)38(50)10-2-6-20-55-47(61)40(56-44(58)28-77-42-26-34(81(73,74)75)24-30-22-32(79(67,68)69)14-16-36(30)42)12-4-8-17-52-43(57)27-76-41-25-33(80(70,71)72)23-29-21-31(78(64,65)66)13-15-35(29)41;;;;/h13-16,21-26,37-40H,1-12,17-20,27-28,49-51H2,(H,52,57)(H,53,59)(H,54,60)(H,55,61)(H,56,58)(H,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75);;;;/q;4*+1/p-4/t37-,38-,39-,40-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula C48H62N8O21S4
Molecular Weight 1215.307
Charge -4
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:51:03 GMT 2023
Edited
by admin
on Sat Dec 16 14:51:03 GMT 2023
Record UNII
3LCH58H5IY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASTODRIMER SODIUM MODIFIED TETRALYSINE
Common Name English
TETRASODIUM 4-(2-(((5S)-6-(((5S)-5-AMINO-6-(((5S)-5-AMINO-6-(((5S)-5-AMINO-6-HYDROXY-6-OXO-HEXYL)AMINO)-6-OXO-HEXYL)AMINO)-6-OXO-HEXYL)AMINO)-5-((2-((3,6-DISULFONATO-1-NAPHTHYL)OXY)ACETYL)AMINO)-6-OXO-HEXYL)AMINO)-2-OXO-ETHOXY)NAPHTHALENE-2,7-DISULFONATE
Systematic Name English
Code System Code Type Description
FDA UNII
3LCH58H5IY
Created by admin on Sat Dec 16 14:51:03 GMT 2023 , Edited by admin on Sat Dec 16 14:51:03 GMT 2023
PRIMARY
PUBCHEM
138454992
Created by admin on Sat Dec 16 14:51:03 GMT 2023 , Edited by admin on Sat Dec 16 14:51:03 GMT 2023
PRIMARY