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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H38N4O19S4.4Na
Molecular Weight 1050.921
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRASODIUM 4-(2-(((5S)-6-(((5S)-5-AMINO-6-HYDROXY-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

SMILES

[Na+].[Na+].[Na+].[Na+].N[C@@H](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=UZVQCWCUZCOPBT-FTKQXCDWSA-J
InChI=1S/C36H42N4O19S4.4Na/c37-29(36(44)45)5-1-3-12-39-35(43)30(40-34(42)20-59-32-18-26(63(55,56)57)16-22-14-24(61(49,50)51)8-10-28(22)32)6-2-4-11-38-33(41)19-58-31-17-25(62(52,53)54)15-21-13-23(60(46,47)48)7-9-27(21)31;;;;/h7-10,13-18,29-30H,1-6,11-12,19-20,37H2,(H,38,41)(H,39,43)(H,40,42)(H,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4/t29-,30-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula C36H38N4O19S4
Molecular Weight 958.962
Charge -4
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
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 14:32:46 GMT 2023
Edited
by admin
on Sat Dec 16 14:32:46 GMT 2023
Record UNII
RQ836T0UK5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRASODIUM 4-(2-(((5S)-6-(((5S)-5-AMINO-6-HYDROXY-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
RQ836T0UK5
Created by admin on Sat Dec 16 14:32:46 GMT 2023 , Edited by admin on Sat Dec 16 14:32:46 GMT 2023
PRIMARY
PUBCHEM
138455025
Created by admin on Sat Dec 16 14:32:46 GMT 2023 , Edited by admin on Sat Dec 16 14:32:46 GMT 2023
PRIMARY