dilithium(1+) ion 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate

• ChemBase ID: 104261
• Molecular Formular: C13H9Li2N5O9S2
• Molecular Mass: 457.25066
• Monoisotopic Mass: 457.01617799
• SMILES: [Li+].[Li+].NNC(=O)Nn1c(=O)c2c3c(cc(c2)S(=O)(=O)[O-])c(N)c(cc3c1=O)S(=O)(=O)[O-]
• Canonical SMILES: NNC(=O)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Li+].[Li+]
• InChI: InChI=1S/C13H11N5O9S2.2Li/c14-10-5-1-4(28(22,23)24)2-6-9(5)7(3-8(10)29(25,26)27)12(20)18(11(6)19)17-13(21)16-15;;/h1-3H,14-15H2,(H2,16,17,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
• InChIKey: RPKCZJYDUKVMGF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^5,^1^3]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate; dilithium(1+) ion 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate; dilithium(1+) ion 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^5,^1^3]trideca-1(12),5,7,9(13),10-pentaene-7,11-disulfonate
• IUPAC Traditional name: dilithium(1+) ion 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^5,^1^3]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate; diLithoTab 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate; dilithium(1+) ion 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^5,^1^3]trideca-1(12),5,7,9(13),10-pentaene-7,11-disulfonate
• Synonyms: Lucifer Yellow CH; LUCIFER YELLOW CH; 6-Amino-2,3-dihydro-1,3-dioxo-2-hydrazinocarbonylamino-1H-benz[d,e]isoquinoline-5,8-disulfonic acid dilithium salt; Lucifer Yellow CH dilithium salt

Database IDs

• CAS Number: 67769-47-5
• EC Number: 267-047-9
• MDL Number: MFCD00006922
• Beilstein Number: 4644601
• PubChem SID: 162092460; 24896250
• PubChem CID: 93367

CALCULATED PROPERTIES

• Polar Surface Area: 244.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• Acid pKa: -2.7883873
• H Acceptors: 11
• H Donor: 4
• LogD (pH = 5.5): -6.746373
• LogD (pH = 7.4): -6.757912
• Log P: -5.025806
• Molar Refractivity: 95.4937 cm^3
• Polarizability: 37.817455 Å^3

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 348 nm; λmax 428 nm (2nd)
• Fluorescence: λex 428 nm; λem 530 nm in 0.1 M phosphate pH 7.0; λex 428 nm; λem 540 nm in H2O

Safety Information

• Storage Condition: 2-8°C, Desiccate, Store Under Nitrogen
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥85% (HPLC)
• Grade: for fluorescence
• Empirical Formula (Hill Notation): C13H9Li2N5O9S2

DETAILS

MP Biomedicals - 02155267

Dilithium Salt A highly fluorescent dye. Useful in marking nerve cells.

Sigma Aldrich - L0259

Application
A highly fluorescent dye, useful in marking nerve cells.
包装
25, 100, 250 mg in glass bottle

Sigma Aldrich - 861502

Packaging
10, 25 mg in glass bottle
Application
Highly fluorescent dye for marking nerve cells. The dye spreads rapidly through the injected cell and binds effectively to tissue by a variety of fixatives.1

Sigma Aldrich - 62642

Application
A highly fluorescent dye, useful in marking nerve cells.
Other Notes
Highly fluorescent dye for staining neurons. Can be bound to tissue by conventional aldehyde-containing biological fixatives1,2

REFERENCES

• Stewart, W., Cell, 14: 741, (1978).