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193527-91-2 | 1-(4-IODOPHENYL)-3-(2-ADAMANTYL)GUANIDINE
CAS No: 193527-91-2 Catalog No: AG00AOP6 MDL No:
Product Description
Catalog Number:
AG00AOP6
Chemical Name:
1-(4-IODOPHENYL)-3-(2-ADAMANTYL)GUANIDINE
CAS Number:
193527-91-2
Molecular Formula:
C17H22IN3
Molecular Weight:
395.2812
IUPAC Name:
2-(2-adamantyl)-1-(4-iodophenyl)guanidine
InChI:
InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)
InChI Key:
UUKPIWYXWLJPJF-UHFFFAOYSA-N
SMILES:
NC(=NC1C2CC3CC1CC(C2)C3)Nc1ccc(cc1)I
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.288g/mol
Monoisotopic Mass:
395.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| CXCR3 antagonists: quaternary ammonium salts equipped with biphenyl- and polycycloaliphatic-anchors. | Bioorganic & medicinal chemistry 20110601 |
| Pregnenolone sulfate acts through a G-protein-coupled sigma1-like receptor to enhance short term facilitation in adult hippocampal neurons. | European journal of pharmacology 20050725 |
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