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Details

Stereochemistry ACHIRAL
Molecular Formula C38H40N12O8S2
Molecular Weight 856.93
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-((2-METHOXYETHYL)AMINO)-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)BENZENESULFONIC ACID)

SMILES

COCCNC1=NC(NC2=CC=CC=C2)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(NCCOC)=NC(NC6=CC=CC=C6)=N5)C=C4S(O)(=O)=O)C(=C3)S(O)(=O)=O)=N1

InChI

InChIKey=IFZMKHAAAPREQJ-BUHFOSPRSA-N
InChI=1S/C38H40N12O8S2/c1-57-21-19-39-33-45-35(41-27-9-5-3-6-10-27)49-37(47-33)43-29-17-15-25(31(23-29)59(51,52)53)13-14-26-16-18-30(24-32(26)60(54,55)56)44-38-48-34(40-20-22-58-2)46-36(50-38)42-28-11-7-4-8-12-28/h3-18,23-24H,19-22H2,1-2H3,(H,51,52,53)(H,54,55,56)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50)/b14-13+

HIDE SMILES / InChI

Approval Year

Name Type Language
2,2'-(1,2-ETHENEDIYL)BIS(5-((4-((2-METHOXYETHYL)AMINO)-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)BENZENESULFONIC ACID)
Systematic Name English
BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-((2-METHOXYETHYL)AMINO)-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-
Systematic Name English
4,4'-BIS(4-ANILINO-6-((2-METHOXYETHYL)AMINO)-S-TRIAZIN-2-YLAMINO)STILBENE-2,2'-DISULFONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
QN632M4X8J
Created by admin on Sat Dec 16 19:08:09 GMT 2023 , Edited by admin on Sat Dec 16 19:08:09 GMT 2023
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CAS
776993-45-4
Created by admin on Sat Dec 16 19:08:09 GMT 2023 , Edited by admin on Sat Dec 16 19:08:09 GMT 2023
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PUBCHEM
6451534
Created by admin on Sat Dec 16 19:08:09 GMT 2023 , Edited by admin on Sat Dec 16 19:08:09 GMT 2023
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