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Details

Stereochemistry ACHIRAL
Molecular Formula C27H26ClN3O10S2
Molecular Weight 652.092
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-[[6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[(3-hydroxy-2,1-phenylene)oxy]]bispropanesulfonic acid

SMILES

OC1=CC=CC(OCCCS(O)(=O)=O)=C1C2=NC(=NC(=N2)C3=CC=C(Cl)C=C3)C4=C(OCCCS(O)(=O)=O)C=CC=C4O

InChI

InChIKey=BWMOEWAMRZYBLT-UHFFFAOYSA-N
InChI=1S/C27H26ClN3O10S2/c28-18-11-9-17(10-12-18)25-29-26(23-19(32)5-1-7-21(23)40-13-3-15-42(34,35)36)31-27(30-25)24-20(33)6-2-8-22(24)41-14-4-16-43(37,38)39/h1-2,5-12,32-33H,3-4,13-16H2,(H,34,35,36)(H,37,38,39)

HIDE SMILES / InChI

Molecular Formula C27H26ClN3O10S2
Molecular Weight 652.092
Charge 0
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 Wed Apr 02 21:04:24 GMT 2025
Edited
by admin
on Wed Apr 02 21:04:24 GMT 2025
Record UNII
R6CWZ2VNJ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Propanesulfonic acid, 3,3?-[[6-(4-chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[(3-hydroxy-2,1-phenylene)oxy]]bis-
Preferred Name English
3,3'-[[6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[(3-hydroxy-2,1-phenylene)oxy]]bispropanesulfonic acid
Systematic Name English
3-[2-[4-(4-Chlorophenyl)-6-[2-hydroxy-6-(3-sulfopropoxy)phenyl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propane-1-sulfonic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
136075907
Created by admin on Wed Apr 02 21:04:24 GMT 2025 , Edited by admin on Wed Apr 02 21:04:24 GMT 2025
PRIMARY
CAS
748086-68-2
Created by admin on Wed Apr 02 21:04:24 GMT 2025 , Edited by admin on Wed Apr 02 21:04:24 GMT 2025
PRIMARY
FDA UNII
R6CWZ2VNJ7
Created by admin on Wed Apr 02 21:04:24 GMT 2025 , Edited by admin on Wed Apr 02 21:04:24 GMT 2025
PRIMARY