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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26N2O18S4.4Na
Molecular Weight 922.749
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRASODIUM 4-(2-(((5S)-5-((2-((3,6-DISULFONATO-1-NAPHTHYL)OXY)ACETYL)AMINO)-6-HYDROXY-6-OXO-HEXYL)AMINO)-2-OXO-ETHOXY)NAPHTHALENE-2,7-DISULFONATE

SMILES

[Na+].[Na+].[Na+].[Na+].OC(=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

InChI

InChIKey=FMSHGNATEOPCGR-OFIHFMIUSA-J
InChI=1S/C30H30N2O18S4.4Na/c33-28(15-49-26-13-21(53(43,44)45)11-17-9-19(51(37,38)39)4-6-23(17)26)31-8-2-1-3-25(30(35)36)32-29(34)16-50-27-14-22(54(46,47)48)12-18-10-20(52(40,41)42)5-7-24(18)27;;;;/h4-7,9-14,25H,1-3,8,15-16H2,(H,31,33)(H,32,34)(H,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/t25-;;;;/m0..../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TETRASODIUM 4-(2-(((5S)-5-((2-((3,6-DISULFONATO-1-NAPHTHYL)OXY)ACETYL)AMINO)-6-HYDROXY-6-OXO-HEXYL)AMINO)-2-OXO-ETHOXY)NAPHTHALENE-2,7-DISULFONATE
Systematic Name English
Code System Code Type Description
FDA UNII
D8CGS7QNG5
Created by admin on Sat Dec 16 15:15:06 GMT 2023 , Edited by admin on Sat Dec 16 15:15:06 GMT 2023
PRIMARY
PUBCHEM
138455072
Created by admin on Sat Dec 16 15:15:06 GMT 2023 , Edited by admin on Sat Dec 16 15:15:06 GMT 2023
PRIMARY