General
Preferred name
E133
Synonyms
FD&C Blue No. 1 ()
Erioglaucine disodium salt ()
Acid Blue 9 ()
Brilliant Blue FCF ()
P&D ID
PD063545
CAS
68921-42-6
3844-45-9
145087-80-5
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Brilliant Blue FCF (Erioglaucine disodium salt) is a nontoxic dye for saphenous vein graft marking that abrogates response to injury. (TargetMol Bioactive Compound Library)
Compound Sets
1
TargetMol Bioactive Compound Library
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
792.12
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
0
Rotatable Bonds
12
Ring Count
5
Aromatic Ring Count
4
cLogP
-0.97
TPSA
177.85
Fraction CSP3
0.16
Chiral centers
0.0
Largest ring
6.0
QED
0.1
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data