Brilliant greenProduct ingredient for Brilliant green cation
- Name
- Brilliant green
- Drug Entry
- Brilliant green cation
Brilliant green, or ethanaminium, is a derivative of triarylmethane dye that has been used as a dye to color silk and wool. Due to its inhibitory actions against Gram positive microorganisms, brilliant green can be found in antiseptic products such as solutions and swabs used to prevent infection.
- Accession Number
- DBSALT002749
- Structure
- Synonyms
- (4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulphate / Basic Green 1 / C.I. Basic Green 1 / Malachite green G / Solid Green
- External IDs
- C.I. 42040 / CI 42040
- UNII
- G0L543D370
- CAS Number
- 633-03-4
- Weight
- Average: 482.64
Monoisotopic: 482.223928757 - Chemical Formula
- C27H34N2O4S
- InChI Key
- NNBFNNNWANBMTI-UHFFFAOYSA-M
- InChI
- InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
- IUPAC Name
- 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate
- SMILES
- OS([O-])(=O)=O.CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC
- External Links
- ChemSpider
- 11941
- ChEBI
- 88173
- ChEMBL
- CHEMBL1790039
- Wikipedia
- Brilliant_Green
- Predicted Properties
Property Value Source Water Solubility 0.000348 mg/mL ALOGPS logP 2.79 ALOGPS logP 2.71 Chemaxon logS -6.1 ALOGPS pKa (Strongest Basic) 5.36 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 6.25 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 150.57 m3·mol-1 Chemaxon Polarizability 47.39 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon