disodium 7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium N,N-dimethyl-7-(methylamino)-3H-phenothiazin-3-iminium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate dichloride

• ChemBase ID: 103044
• Molecular Formular: C51H40Br4Cl2N6Na2O5S2
• Molecular Mass: 1317.53204
• Monoisotopic Mass: 1311.84075233
• SMILES: [Na+].[Na+].[Cl-].[Cl-].CNc1cc2c(cc1)nc1ccc(=[N+](C)C)cc1s2.CN(C)c1cc2c(cc1)nc1ccc(=[N+](C)C)cc1s2.[O-]C(=O)c1c(cccc1)c1c2cc(Br)c(=O)c(Br)c2oc2c1cc(Br)c([O-])c2Br
• Canonical SMILES: O=c1c(Br)cc2c(c1Br)oc1c(c2c2ccccc2C(=O)[O-])cc(c(c1Br)[O-])Br.CN(c1ccc2c(c1)sc1c(n2)ccc(=[N+](C)C)c1)C.CNc1ccc2c(c1)sc1c(n2)ccc(=[N+](C)C)c1.[Na+].[Na+].[Cl-].[Cl-]
• InChI: InChI=1S/C20H8Br4O5.C16H18N3S.C15H15N3S.2ClH.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;;;;/h1-6,25H,(H,27,28);5-10H,1-4H3;4-9H,1-3H3;2*1H;;/q;+1;;;;2*+1/p-3
• InChIKey: CSDDIABEPMTRIP-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium N,N-dimethyl-7-(methylamino)-3H-phenothiazin-3-iminium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate dichloride
• IUPAC Traditional name: disodium 7-(dimethylamino)-N,N-dimethylphenothiazin-3-iminium N,N-dimethyl-7-(methylamino)phenothiazin-3-iminium eosin YS(2-) dichloride; dipotassium 7-(dimethylamino)-N,N-dimethylphenothiazin-3-iminium N,N-dimethyl-7-(methylamino)phenothiazin-3-iminium eosin YS(2-) dichloride
• Synonyms: Azure II eosinate; AZURE II EOSINATE; Azure II eosinate; Azure II-Eosin mixture; 天青II-曙红

Database IDs

• CAS Number: 53092-85-6
• MDL Number: MFCD00084753
• PubChem SID: 162090537; 24851351
• PubChem CID: 44134563

CALCULATED PROPERTIES

• Acid pKa: 3.3859963
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7443838
• LogD (pH = 7.4): 0.8024107
• Log P: 5.9925447
• Molar Refractivity: 155.2642 cm^3
• Polarizability: 45.847355 Å^3
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 524 nm (2nd); λmax 647 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 22-26-36
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Grade: for microscopy (Bact., Hist.); Standard Fluka

DETAILS

MP Biomedicals - 02150420

A mixture of Azure B, Methylene Blue, and Eosin in equal proportions. This forms the main ingredient of Giemsa Stain.

Sigma Aldrich - 200220

Features and Benefits
Chief ingredient of Giemsa Stain.
Packaging
25, 100 g in glass bottle