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905-96-4 | 3,3'-Diethyloxacarbocyanine Iodide
CAS No: 905-96-4 Catalog No: AG003ICA MDL No:MFCD00011952
Product Description
Catalog Number:
AG003ICA
Chemical Name:
3,3'-Diethyloxacarbocyanine Iodide
CAS Number:
905-96-4
Molecular Formula:
C21H21IN2O2
Molecular Weight:
460.3081
MDL Number:
MFCD00011952
IUPAC Name:
3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
FIZZUEJIOKEFFZ-UHFFFAOYSA-M
SMILES:
CC[n+]1c(/C=C/C=c\2/oc3c(n2CC)cccc3)oc2c1cccc2.[I-]
EC Number:
212-996-6
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.065g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.315g/mol
Monoisotopic Mass:
460.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Literature
| Title | Journal |
|---|---|
| The novel BCR-ABL and FLT3 inhibitor ponatinib is a potent inhibitor of the MDR-associated ATP-binding cassette transporter ABCG2. | Molecular cancer therapeutics 20120901 |
| Poloxamines display a multiple inhibitory activity of ATP-binding cassette (ABC) transporters in cancer cell lines. | Molecular pharmaceutics 20110801 |
| Identification of interspecies difference in efflux transporters of hepatocytes from dog, rat, monkey and human. | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20080902 |
| On-line measurements of oscillating mitochondrial membrane potential in glucose-fermenting Saccharomyces cerevisiae. | Yeast (Chichester, England) 20070901 |
| Analysis of P-glycoprotein-mediated membrane transport in human peripheral blood lymphocytes using the UIC2 shift assay. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20030601 |
| Fluctuation of surface charge in membrane pores. | Biophysical journal 20020401 |
| Evaluation of the clinical relevance of the expression and function of P-glycoprotein, multidrug resistance protein and lung resistance protein in patients with primary acute myelogenous leukemia. | Leukemia research 20020201 |
| Multidrug-resistance phenotype and clinical responses to gemtuzumab ozogamicin. | Blood 20010815 |
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