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125880-86-6 | Benzenecarboximidamide, 4,4'-(1,4-butanediyldiimino)bis[3-amino- (9CI)
CAS No: 125880-86-6 Catalog No: AG000OXD MDL No:
Product Description
Catalog Number:
AG000OXD
Chemical Name:
Benzenecarboximidamide, 4,4'-(1,4-butanediyldiimino)bis[3-amino- (9CI)
CAS Number:
125880-86-6
Molecular Formula:
C18H26N8
Molecular Weight:
354.4526
IUPAC Name:
3-amino-4-[4-(2-amino-4-carbamimidoylanilino)butylamino]benzenecarboximidamide
InChI:
InChI=1S/C18H26N8/c19-13-9-11(17(21)22)3-5-15(13)25-7-1-2-8-26-16-6-4-12(18(23)24)10-14(16)20/h3-6,9-10,25-26H,1-2,7-8,19-20H2,(H3,21,22)(H3,23,24)
InChI Key:
UXVWYINPGXCLNB-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1NCCCCNc1ccc(cc1N)C(=N)N)C(=N)N
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.228g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
354.462g/mol
Monoisotopic Mass:
354.228g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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