Trypan blueProduct ingredient for Trypan blue free acid
- Name
- Trypan blue
- Drug Entry
- Trypan blue free acid
Trypan blue is a diazo dye used in ophthalmic cataract surgery to stain the anterior capsule in the presence of a mature cataract. This is done to aid in visualization before creating the continuous curvilinear capsulorhexis.
- Accession Number
- DBSALT002750
- Structure
Structure for Trypan blue (DBSALT002750)
- Synonyms
- Benzamine blue / Benzo blue / Congo blue / Diamine blue / Dianil blue / Naphthylamine blue / Niagara blue / Sodium ditolyl-diazobis-8-amino-1-naphthol-3,6-disulfonate / Sodium ditolyl-diazobis-8-amino-1-naphthol-3,6-disulphonate
- External IDs
- C.I. 23850 / C.I. DIRECT BLUE 14
- UNII
- I2ZWO3LS3M
- CAS Number
- 72-57-1
- Weight
- Average: 960.79
Monoisotopic: 959.98241129 - Chemical Formula
- C34H24N6Na4O14S4
- InChI Key
- GLNADSQYFUSGOU-GPTZEZBUSA-J
- InChI
- InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;
- IUPAC Name
- tetrasodium 5-amino-3-[(E)-2-{4'-[(E)-2-(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
- SMILES
- [Na+].[Na+].[Na+].[Na+].CC1=CC(=CC=C1\N=N\C1=C(C=C2C=C(C=C(N)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O)C1=CC(C)=C(C=C1)\N=N\C1=C(O)C2=C(N)C=C(C=C2C=C1S([O-])(=O)=O)S([O-])(=O)=O
- External Links
- KEGG Compound
- C19307
- ChemSpider
- 10482308
- ChEBI
- 78897
- ChEMBL
- CHEMBL1640
- Wikipedia
- Trypan_blue
- Predicted Properties
Property Value Source Water Solubility 0.00602 mg/mL ALOGPS logP 3.34 ALOGPS logP 1.13 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) -4.2 Chemaxon pKa (Strongest Basic) 2.38 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 20 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 370.74 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 214.18 m3·mol-1 Chemaxon Polarizability 85.11 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon