Home Iodos 905-96-4
905-96-4,MFCD00011952
Catalog No.:AA003I9I
905-96-4 | 3,3'-Diethyloxacarbocyanine Iodide
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1g
>98.0%(N)
1 week  
$132.00   $92.00
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5g
>98.0%(N)
1 week  
$448.00   $313.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003I9I
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
Computed 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  

Synonyms
 
3,3'-diethyloxacarbocyanine 
3,3'-diethyloxacarbocyanine iodide 
3,3'-Diethyl-2,2'-oxadicarbocyanine iodide 
G 1745 
Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)-, iodide 
Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide 
Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-, iodide (1:1) 
Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1) 
3-Ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]benzoxazolium iodide 
3-Ethyl-2-(3-(3-ethylbenzo[d]oxazol-2(3H)-ylidene)prop-1-en-1-yl)benzo[d]oxazol-3-ium iodide 
KS-000017RO 
EINECS 212-996-6 
DiOC2 
NSC 96929 
AKOS030238785 
3,3'-Diethyl-2,2'-oxacarbocyanine iodide 
3,3'-DIETHYLOXACARBO-CYANINE IODIDE 
FT-0614052 
FT-0772678 
3-Ethyl-2-(3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl)benzoxazolium iodide 
3-ethyl-2-((1E,3Z)-3-(3-ethylbenzo[d]oxazol-2(3H)-ylidene)prop-1-enyl)benzo[d]oxazol-3-ium iodide 
DiOC2(3) 
3,3'-Diethyloxacarbocyanine iodide 
905-96-4 
DOC Iodide 
1,1'-DIETHYL-2,2'-OXACARBOCYANINE IODIDE 
57441-62-0 
3,3'-DiethyloxacarbocyanineIodide 
Literature

Title: The novel BCR-ABL and FLT3 inhibitor ponatinib is a potent inhibitor of the MDR-associated ATP-binding cassette transporter ABCG2.

Journal: Molecular cancer therapeutics 20120901

Title: Poloxamines display a multiple inhibitory activity of ATP-binding cassette (ABC) transporters in cancer cell lines.

Journal: Molecular pharmaceutics 20110801

Title: Identification of interspecies difference in efflux transporters of hepatocytes from dog, rat, monkey and human.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20080902

Title: On-line measurements of oscillating mitochondrial membrane potential in glucose-fermenting Saccharomyces cerevisiae.

Journal: Yeast (Chichester, England) 20070901

Title: Analysis of P-glycoprotein-mediated membrane transport in human peripheral blood lymphocytes using the UIC2 shift assay.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20030601

Title: Fluctuation of surface charge in membrane pores.

Journal: Biophysical journal 20020401

Title: 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.

Journal: Leukemia research 20020201

Title: Multidrug-resistance phenotype and clinical responses to gemtuzumab ozogamicin.

Journal: Blood 20010815

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