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158942-98-4 | Guanidine, N-[1-(3-chlorophenyl)cyclobutyl]-N'-cyano-N''-3-pyridinyl-
CAS No: 158942-98-4 Catalog No: AG001R10 MDL No:
Product Description
Catalog Number:
AG001R10
Chemical Name:
Guanidine, N-[1-(3-chlorophenyl)cyclobutyl]-N'-cyano-N''-3-pyridinyl-
CAS Number:
158942-98-4
Molecular Formula:
C17H16ClN5
Molecular Weight:
325.7954
IUPAC Name:
2-[1-(3-chlorophenyl)cyclobutyl]-1-cyano-3-pyridin-3-ylguanidine
InChI:
InChI=1S/C17H16ClN5/c18-14-5-1-4-13(10-14)17(7-3-8-17)23-16(21-12-19)22-15-6-2-9-20-11-15/h1-2,4-6,9-11H,3,7-8H2,(H2,21,22,23)
InChI Key:
UNKNNJPCQUDLMW-UHFFFAOYSA-N
SMILES:
N#CNC(=Nc1cccnc1)NC1(CCC1)c1cccc(c1)Cl
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.8g/mol
Monoisotopic Mass:
325.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Arylcyanoguanidines as activators of Kir6.2/SUR1K ATP channels and inhibitors of insulin release. | Journal of medicinal chemistry 20040603 |
| Different molecular sites of action for the KATP channel inhibitors, PNU-99963 and PNU-37883A. | British journal of pharmacology 20030501 |
| The molecular site of action of K(ATP) channel inhibitors determines their ability to inhibit iNOS-mediated relaxation in rat aorta. | Cardiovascular research 20021001 |
| Recent developments in the biology and medicinal chemistry of potassium channel modulators: update from a decade of progress. | Journal of medicinal chemistry 20010524 |
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