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124076-65-9 | Benzenecarboximidamide, 4,4'-[1,3-propanediylbis(oxy)]bis[3-methoxy-
CAS No: 124076-65-9 Catalog No: AG000LJF MDL No:
Product Description
Catalog Number:
AG000LJF
Chemical Name:
Benzenecarboximidamide, 4,4'-[1,3-propanediylbis(oxy)]bis[3-methoxy-
CAS Number:
124076-65-9
Molecular Formula:
C19H24N4O4
Molecular Weight:
372.4183
IUPAC Name:
4-[3-(4-carbamimidoyl-2-methoxyphenoxy)propoxy]-3-methoxybenzenecarboximidamide
InChI:
InChI=1S/C19H24N4O4/c1-24-16-10-12(18(20)21)4-6-14(16)26-8-3-9-27-15-7-5-13(19(22)23)11-17(15)25-2/h4-7,10-11H,3,8-9H2,1-2H3,(H3,20,21)(H3,22,23)
InChI Key:
YBEQGLWWCCCCRA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCCCOc1ccc(cc1OC)C(=N)N)C(=N)N
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.18g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
372.425g/mol
Monoisotopic Mass:
372.18g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Pentamidine is a potent inhibitor of [3H]idazoxan binding to imidazoline I2 receptors. | Annals of the New York Academy of Sciences 19990621 |
| Structure-in vitro activity relationships of pentamidine analogues and dication-substituted bis-benzimidazoles as new antifungal agents. | Antimicrobial agents and chemotherapy 19981001 |
| 1,5-Bis(4-amidinophenoxy)pentane (pentamidine) is a potent inhibitor of [3H]idazoxan binding to imidazoline I2 binding sites. | European journal of pharmacology 19980717 |
| Anti-Pneumocystis activities of aromatic diamidoxime prodrugs. | Antimicrobial agents and chemotherapy 19980301 |
| New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. | Journal of medicinal chemistry 19951124 |
| Inhibition of Cryptosporidium parvum in neonatal Hsd:(ICR)BR Swiss miceby polyether ionophores and aromatic amidines. | Antimicrobial agents and chemotherapy 19910701 |
| Inhibition of topoisomerases from Pneumocystis carinii by aromatic dicationic molecules. | The Journal of protozoology 19910101 |
| Structure-activity relationships of analogs of pentamidine against Plasmodium falciparum and Leishmania mexicana amazonensis. | Antimicrobial agents and chemotherapy 19900701 |
| Analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine) in the treatment of experimental Pneumocystis carinii pneumonia. | Journal of medicinal chemistry 19900401 |
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