U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H34N12O10S2.2Na
Molecular Weight 808.753
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FLUORESCENT BRIGHTENER 117

SMILES

[Na+].[Na+].NC1=NC(=NC(NC2=CC=C(\C=C\C3=CC=C(NC4=NC(N)=NC(=N4)N(CCO)CCO)C=C3S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)=N1)N(CCO)CCO

InChI

InChIKey=PDHPQRWCNQYKMJ-SEPHDYHBSA-L
InChI=1S/C28H36N12O10S2.2Na/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44;;/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H3,29,31,33,35,37)(H3,30,32,34,36,38);;/q;2*+1/p-2/b2-1+;;

HIDE SMILES / InChI

Molecular Formula C28H34N12O10S2
Molecular Weight 762.774
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 Fri Dec 15 19:43:41 UTC 2023
Edited
by admin
on Fri Dec 15 19:43:41 UTC 2023
Record UNII
36XZ80F42Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUORESCENT BRIGHTENER 117
Common Name English
BLANKOPHOR BPN
Common Name English
2,2'-STILBENEDISULFONIC ACID, 4,4'-BIS((4-AMINO-6-(BIS(2-HYDROXYETHYL)AMINO)-S-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT
Systematic Name English
CI FLUORESCENT BRIGHTENER 117
Common Name English
BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-AMINO-6-(BIS(2-HYDROXYETHYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT
Systematic Name English
C.I. FLUORESCENT BRIGHTENER 117
Common Name English
Code System Code Type Description
CAS
20182-55-2
Created by admin on Fri Dec 15 19:43:41 UTC 2023 , Edited by admin on Fri Dec 15 19:43:41 UTC 2023
PRIMARY
PUBCHEM
44152654
Created by admin on Fri Dec 15 19:43:41 UTC 2023 , Edited by admin on Fri Dec 15 19:43:41 UTC 2023
PRIMARY
ECHA (EC/EINECS)
243-567-1
Created by admin on Fri Dec 15 19:43:41 UTC 2023 , Edited by admin on Fri Dec 15 19:43:41 UTC 2023
PRIMARY
FDA UNII
36XZ80F42Y
Created by admin on Fri Dec 15 19:43:41 UTC 2023 , Edited by admin on Fri Dec 15 19:43:41 UTC 2023
PRIMARY