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53213-81-3 | 3,3'-DIPENTYLOXACARBOCYANINE IODIDE
CAS No: 53213-81-3 Catalog No: AG00D8G3 MDL No:
Product Description
Catalog Number:
AG00D8G3
Chemical Name:
3,3'-DIPENTYLOXACARBOCYANINE IODIDE
CAS Number:
53213-81-3
Molecular Formula:
C27H33IN2O2
Molecular Weight:
544.4676
IUPAC Name:
(2E)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C27H33N2O2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1
InChI Key:
CDLMLYASVIQVPH-UHFFFAOYSA-M
SMILES:
CCCCC[n+]1c(/C=C/C=c\2/oc3c(n2CCCCC)cccc3)oc2c1cccc2.[I-]
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
544.159g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.477g/mol
Monoisotopic Mass:
544.159g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Mechanism of cytotoxic action of perfluorinated acids. I. alteration in plasma membrane potential and intracellular pH level. | Toxicology and applied pharmacology 20090201 |
| Biophysical characterization of MDR breast cancer cell lines reveals the cytoplasm is critical in determining drug sensitivity. | Biochimica et biophysica acta 20070401 |
| Neither lipophilicity nor membrane-perturbing potency of phenothiazine maleates correlate with the ability to inhibit P-glycoprotein transport activity. | Molecular membrane biology 20030101 |
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