disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)methyl]-5-hydroxybenzene-1-sulfonate

• ChemBase ID: 105938
• Molecular Formular: C37H34N2Na2O10S3
• Molecular Mass: 808.8478
• Monoisotopic Mass: 808.11709686
• SMILES: [Na+].[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c1ccc(cc1)/C(=C\1/C=C/C(=[N+](\CC)/Cc2cccc(c2)S(=O)(=O)[O-])/C=C1)/c1ccc(O)cc1S(=O)(=O)[O-]
• Canonical SMILES: CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2S(=O)(=O)[O-])O)/c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)/C=C1)/Cc1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2
• InChIKey: RZSYLLSAWYUBPE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)methyl]-5-hydroxybenzene-1-sulfonate
• IUPAC Traditional name: dipotassium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)methyl]-5-hydroxybenzenesulfonate; disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)methyl]-5-hydroxybenzenesulfonate
• Synonyms: FAST GREEN FCF ELECTROPHORESIS GRADE; Food Green 3; C.I. 42053; FAST GREEN FCF; FD&C Green No. 3; Green 1724; Solid Green FCF

Database IDs

• CAS Number: 2353-45-9
• EC Number: 219-091-5
• PubChem SID: 162092851
• PubChem CID: 16887; 16888
• Chemspider ID: 16002
• KEGG ID: C19423
• Unique Ingredient Identifier: 3P3ONR6O1S
• Wikipedia Title: Fast_Green_FCF

CALCULATED PROPERTIES

• Acid pKa: -2.393778
• H Acceptors: 11
• H Donor: 1
• LogD (pH = 5.5): 0.040639054
• LogD (pH = 7.4): -0.05096372
• Log P: 2.312153
• Molar Refractivity: 220.781 cm^3
• Polarizability: 77.90739 Å^3
• Polar Surface Area: 198.08 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 290°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BQ4425000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22; R36 R37 R38
• Safety Statements: S:36/37/39

Product Information

• Purity: Dye Content ~90%
• Grade: ELECTROPHORESIS

DETAILS

MP Biomedicals - 02195178

Dye Content: ~ 90%
Stain for showing collagen, muscle, cytoplasm, cells and cornified epithelium in mammalian tissue. Also can be used as a substitute for Light Green SF Yellowish in cytology and histology.

MP Biomedicals - 04800662

Electrophoresis Grade
Sensitive stain for proteins. A linear relationship exists between protein concentration and color density in the range from 5 to 50 mg.

REFERENCES

• Stain Technol. , 18 : 95 (1943) and 20 : 33 (1945).
• Arch. Pathol. , 29 : 705 (1940).