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125880-82-2 | Benzenecarboximidamide, 4,4'-(1,4-butanediyldiimino)bis- (9CI)
CAS No: 125880-82-2 Catalog No: AG000OXF MDL No:
Product Description
Catalog Number:
AG000OXF
Chemical Name:
Benzenecarboximidamide, 4,4'-(1,4-butanediyldiimino)bis- (9CI)
CAS Number:
125880-82-2
Molecular Formula:
C18H24N6
Molecular Weight:
324.4234
IUPAC Name:
4-[4-(4-carbamimidoylanilino)butylamino]benzenecarboximidamide
InChI:
InChI=1S/C18H24N6/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h3-10,23-24H,1-2,11-12H2,(H3,19,20)(H3,21,22)
InChI Key:
XPYWKLXCKKLGSB-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccc(cc1)NCCCCNc1ccc(cc1)C(=N)N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.206g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
324.432g/mol
Monoisotopic Mass:
324.206g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
124A^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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