methyl 2-(6-amino-3-imino-3H-xanthen-9-yl)benzoate hydrochloride

• ChemBase ID: 104590
• Molecular Formular: C21H17ClN2O3
• Molecular Mass: 380.82428
• Monoisotopic Mass: 380.09277009
• SMILES: Cl.COC(=O)c1ccccc1c1c2ccc(=N)cc2oc2c1ccc(N)c2
• Canonical SMILES: COC(=O)c1ccccc1c1c2ccc(=N)cc2oc2c1ccc(c2)N.Cl
• InChI: InChI=1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H
• InChIKey: MYFATKRONKHHQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(6-amino-3-imino-3H-xanthen-9-yl)benzoate hydrochloride
• IUPAC Traditional name: methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate hydrochloride
• Synonyms: 2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid methyl ester; Rhodamine 123; 2-[6-Amino-3-imino-3H-xanthen-9-yl]benzoic acid methyl ester; RHODAMINE 123

Database IDs

• CAS Number: 62669-70-9
• EC Number: 263-687-8
• MDL Number: MFCD00012664
• Beilstein Number: 6030951
• PubChem SID: 24899403; 162093087; 24888136
• PubChem CID: 9929799

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.67261815
• LogD (pH = 7.4): 2.3732333
• Log P: 2.8461912
• Molar Refractivity: 123.3732 cm^3
• Polarizability: 37.654495 Å^3
• Polar Surface Area: 85.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: soluble20 mg/mL, clear, red

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• RTECS: ZE0883000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥85% (HPLC)
• Grade: for fluorescence
• Suitability: in accordance for fluorescence
• Impurities: ≤10% water
• Product Line: BioReagent
• Linear Formula: C21H17ClN2O3

DETAILS

MP Biomedicals - 02156530

Used as a laser dye.

Sigma Aldrich - 83702

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Fluorescent dye most commonly used in flow cytometry as functional reporter for Pgp. Functional assays for MDR proteins are better prognostic indicators in cancer therapy than levels of MDR protein expression. Rh 123 can be used in multiparameter analyses without fluorescence interference in combination with common protein labeling dyes such as PE-Cy5 and AMCA (7-amino-4-methylcoumarin-3-acetic acid). Recent reports indicate Rh 123 may also be a substrate of MRP1.
Other Notes
Supravital mitochondrial-specific dye1

Sigma Aldrich - R8004

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Useful as a laser dye and to have selective cell growth effects. Mitochondrial specific fluorescent dye and substrate for P-glycoprotein.
Biochem/physiol Actions
Fluorescent dye most commonly used in flow cytometry as functional reporter for Pgp. Functional assays for MDR proteins are better prognostic indicators in cancer therapy than levels of MDR protein expression. Rh 123 can be used in multiparameter analyses without fluorescence interference in combination with common protein labeling dyes such as PE-Cy5 and AMCA (7-amino-4-methylcoumarin-3-acetic acid). Recent reports indicate Rh 123 may also be a substrate of MRP1.
包装
5, 25, 100 mg in glass bottle

REFERENCES

• Bernal, S.D., et al., Science , 218 : 1117, (1982).