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125880-79-7 | Benzenecarboximidamide, 4,4'-[1,3-propanediylbis(oxy)]bis[3-amino-
CAS No: 125880-79-7 Catalog No: AG000OW5 MDL No:
Product Description
Catalog Number:
AG000OW5
Chemical Name:
Benzenecarboximidamide, 4,4'-[1,3-propanediylbis(oxy)]bis[3-amino-
CAS Number:
125880-79-7
Molecular Formula:
C17H22N6O2
Molecular Weight:
342.3956
IUPAC Name:
3-amino-4-[3-(2-amino-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
InChI:
InChI=1S/C17H22N6O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7,18-19H2,(H3,20,21)(H3,22,23)
InChI Key:
NYLBUISIAAYGKT-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1OCCCOc1ccc(cc1N)C(=N)N)C(=N)N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.18g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
342.403g/mol
Monoisotopic Mass:
342.18g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. | Journal of medicinal chemistry 19951124 |
| 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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