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124076-62-6 | Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis[3-amino- (9CI)
CAS No: 124076-62-6 Catalog No: AG000LJG MDL No:
Product Description
Catalog Number:
AG000LJG
Chemical Name:
Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis[3-amino- (9CI)
CAS Number:
124076-62-6
Molecular Formula:
C19H26N6O2
Molecular Weight:
370.4487
IUPAC Name:
3-amino-4-[5-(2-amino-4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
InChI:
InChI=1S/C19H26N6O2/c20-14-10-12(18(22)23)4-6-16(14)26-8-2-1-3-9-27-17-7-5-13(19(24)25)11-15(17)21/h4-7,10-11H,1-3,8-9,20-21H2,(H3,22,23)(H3,24,25)
InChI Key:
VFOFCLHDSYTAFT-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1OCCCCCOc1ccc(cc1N)C(=N)N)C(=N)N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.212g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
370.457g/mol
Monoisotopic Mass:
370.212g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 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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