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Xanthylium,3,6-diamino-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) (62669-70-9)

Identification
Name:Xanthylium,3,6-diamino-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)
Synonyms:Benzoicacid, 2-(6-amino-3-imino-3H-xanthen-9-yl)-, methyl ester, monohydrochloride;Xanthylium, 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]-, chloride (9CI);R22420;R 302;RH 123;Rhodamine 123;
CAS:62669-70-9
EINECS: 263-687-8
Molecular Formula: C21H17ClN2O3
Molecular Weight: 380.85
InChI: InChI=1/C21H17N2O3.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;/h2-11H,22-23H2,1H3;1H/q+1;/p-1
Molecular Structure: (C21H17ClN2O3) Benzoicacid, 2-(6-amino-3-imino-3H-xanthen-9-yl)-, methyl ester, monohydrochloride;Xanthylium, 3,6-d...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Stability:Stable under normal temperatures and pressures.
Water Solubility:Partially soluble
Solubility:ethanol: 20 mg/mL, clear, red
Appearance:Red to brown powder.
Specification:

The Rhodamine 123, with CAS registry number 62669-70-9, has the systematic name of 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride. This chemical is a kind of red-brown to brown or dark green powder. And its classification codes are Coloring Agents, Fluorescent dyes, Indicators and Reagents, Luminescent Agents and Reproductive Effect. The main use of this chemical is the treatment of prostate cancer.

Physical properties of Rhodamine 123: (1)#H bond acceptors: 5; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 91.48 Å2. 

When you are using this chemical, please be cautious about it as the following:
The Rhodamine 123 is harmful if swallowed. When use it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].COC(=O)c4ccccc4c1c3ccc(N)cc3[o+]c2cc(N)ccc12
(2)InChI: InChI=1/C21H17N2O3.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;/h2-11H,22-23H2,1H3;1H/q+1;/p-1
(3)InChIKey: TUFFYSFVSYUHPA-REWHXWOFAU
(4)Std. InChI: InChI=1S/C21H17N2O3.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;/h2-11H,22-23H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: TUFFYSFVSYUHPA-UHFFFAOYSA-M

Flash Point: °C
Storage Temperature: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Usage:Potential treatment for prostate cancer, histological stain.
Safety Data
Hazard Symbols Xn: Harmful
 

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