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25155-18-4 | Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1)
CAS No: 25155-18-4 Catalog No: AG002QON MDL No:MFCD00011821
Product Description
Catalog Number:
AG002QON
Chemical Name:
Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1)
CAS Number:
25155-18-4
Molecular Formula:
C28H44ClNO2
Molecular Weight:
462.1075
MDL Number:
MFCD00011821
IUPAC Name:
benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI:
InChI=1S/C28H44NO2.ClH/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1
InChI Key:
QWZLBLDNRUUYQI-UHFFFAOYSA-M
SMILES:
Cc1cc(ccc1OCCOCC[N+](Cc1ccccc1)(C)C)C(CC(C)(C)C)(C)C.[Cl-]
EC Number:
246-675-7
UNII:
NN7590IUQX
NSC Number:
758427
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.306g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.115g/mol
Monoisotopic Mass:
461.306g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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| Magnetic 'fishing' assay to screen small-molecule mixtures for modulators of protein-protein interactions. | Analytical chemistry 20101201 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Is paromomycin an effective and safe treatment against cutaneous leishmaniasis? A meta-analysis of 14 randomized controlled trials. | PLoS neglected tropical diseases 20090201 |
| Aqueous micellar two-phase system composed of hyamine-type hydrophobically modified ethylene oxide and application for cytochrome P450 BM-3 separation. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070601 |
| Leishmania major: in vitro and in vivo anti-leishmanial activity of paromomycin ointment (Leshcutan) combined with the immunomodulator Imiquimod. | Experimental parasitology 20070601 |
| Cutaneous leishmaniasis. | Clinics in dermatology 20070101 |
| A siderophore biosynthesis gene cluster from the fish pathogen Photobacterium damselae subsp. piscicida is structurally and functionally related to the Yersinia high-pathogenicity island. | Microbiology (Reading, England) 20061101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Comparison of the effectiveness of two topical paromomycin treatments versus meglumine antimoniate for New World cutaneous leishmaniasis. | Acta tropica 20040701 |
| Randomized, controlled, double-blind trial of topical treatment of cutaneous leishmaniasis with paromomycin plus methylbenzethonium chloride ointment in Guatemala. | The American journal of tropical medicine and hygiene 20011101 |
| Successful topical treatment of murine cutaneous leishmaniasis with a combination of paromomycin (Aminosidine) and gentamicin. | The Journal of parasitology 19990401 |
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