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125901-98-6 | Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis[3-nitro-
CAS No: 125901-98-6 Catalog No: AG000OXY MDL No:
Product Description
Catalog Number:
AG000OXY
Chemical Name:
Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis[3-nitro-
CAS Number:
125901-98-6
Molecular Formula:
C19H22N6O6
Molecular Weight:
430.4146
IUPAC Name:
4-[5-(4-carbamimidoyl-2-nitrophenoxy)pentoxy]-3-nitrobenzenecarboximidamide
InChI:
InChI=1S/C19H22N6O6/c20-18(21)12-4-6-16(14(10-12)24(26)27)30-8-2-1-3-9-31-17-7-5-13(19(22)23)11-15(17)25(28)29/h4-7,10-11H,1-3,8-9H2,(H3,20,21)(H3,22,23)
InChI Key:
QGYJOIDDJBUEBL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OCCCCCOc1ccc(cc1[N+](=O)[O-])C(=N)N)C(=N)N
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.16g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
430.421g/mol
Monoisotopic Mass:
430.16g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 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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