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Details

Stereochemistry ACHIRAL
Molecular Formula C41H30N8O9S2
Molecular Weight 842.855
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NF-676 FREE ACID

SMILES

OS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C3NC(=NC3=C2)C4=CC=C(NC(=O)NC5=CC=C(C=C5)C6=NC7=CC(=CC=C7N6)C(=O)NC8=CC=C(C=C8)S(O)(=O)=O)C=C4)C=C1

InChI

InChIKey=FGRDETPXVJYJTR-UHFFFAOYSA-N
InChI=1S/C41H30N8O9S2/c50-39(42-27-11-15-31(16-12-27)59(53,54)55)25-5-19-33-35(21-25)48-37(46-33)23-1-7-29(8-2-23)44-41(52)45-30-9-3-24(4-10-30)38-47-34-20-6-26(22-36(34)49-38)40(51)43-28-13-17-32(18-14-28)60(56,57)58/h1-22H,(H,42,50)(H,43,51)(H,46,48)(H,47,49)(H2,44,45,52)(H,53,54,55)(H,56,57,58)

HIDE SMILES / InChI

Molecular Formula C41H30N8O9S2
Molecular Weight 842.855
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 Sat Dec 16 09:05:14 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:14 GMT 2023
Record UNII
EEC8DZ2V4P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NF-676 FREE ACID
Common Name English
BENZENESULFONIC ACID, 4,4'-(CARBONYLBIS(IMINO-4,1-PHENYLENE-1H-BENZIMIDAZOLE-2,5-DIYLCARBONYLIMINO))BIS-
Systematic Name English
Code System Code Type Description
CAS
869184-36-1
Created by admin on Sat Dec 16 09:05:14 GMT 2023 , Edited by admin on Sat Dec 16 09:05:14 GMT 2023
PRIMARY
FDA UNII
EEC8DZ2V4P
Created by admin on Sat Dec 16 09:05:14 GMT 2023 , Edited by admin on Sat Dec 16 09:05:14 GMT 2023
PRIMARY
PUBCHEM
11506153
Created by admin on Sat Dec 16 09:05:14 GMT 2023 , Edited by admin on Sat Dec 16 09:05:14 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY