U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C32H19N6O15S5.5Na
Molecular Weight 1002.798
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of TRYPAN RED

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].NC1=C(C=C2C=C(C=CC2=C1\N=N\C3=CC=C(C=C3)C4=CC=C(\N=N\C5=C6C=CC(=CC6=CC(=C5N)S([O-])(=O)=O)S([O-])(=O)=O)C(=C4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=RBDJQFKUZPMOFH-DDUJJQHXSA-I
InChI=1S/C32H24N6O15S5.5Na/c33-29-27(57(48,49)50)14-18-11-21(54(39,40)41)6-8-23(18)31(29)37-35-20-4-1-16(2-5-20)17-3-10-25(26(13-17)56(45,46)47)36-38-32-24-9-7-22(55(42,43)44)12-19(24)15-28(30(32)34)58(51,52)53;;;;;/h1-15H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5/b37-35+,38-36+;;;;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 5 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C32H19N6O15S5
Molecular Weight 887.849
Charge -5
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2549SX0N51
Record Status Validated (UNII)
Record Version