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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11O.Br
Molecular Weight 287.151
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Flavylium bromide

SMILES

[Br-].C1=CC=C(C=C1)C2=[O+]C3=C(C=CC=C3)C=C2

InChI

InChIKey=XIYRCIWKUMWLFC-UHFFFAOYSA-M
InChI=1S/C15H11O.BrH/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-11H;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C15H11O
Molecular Weight 207.2472
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
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 Wed Apr 02 20:34:35 GMT 2025
Edited
by admin
on Wed Apr 02 20:34:35 GMT 2025
Record UNII
25GYF4532E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Benzopyrylium, 2-phenyl-, bromide
Preferred Name English
Flavylium bromide
Common Name English
1-Benzopyrylium, 2-phenyl-, bromide (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
25GYF4532E
Created by admin on Wed Apr 02 20:34:35 GMT 2025 , Edited by admin on Wed Apr 02 20:34:35 GMT 2025
PRIMARY
PUBCHEM
85971595
Created by admin on Wed Apr 02 20:34:35 GMT 2025 , Edited by admin on Wed Apr 02 20:34:35 GMT 2025
PRIMARY
CAS
693251-80-8
Created by admin on Wed Apr 02 20:34:35 GMT 2025 , Edited by admin on Wed Apr 02 20:34:35 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE