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156953-85-4 | 1,18-Diazoniatricyclo[29.3.1.114,18]hexatriaconta-1(35),14,16,18(36),31,33-hexaene
CAS No: 156953-85-4 Catalog No: AG001P3Z MDL No:
Product Description
Catalog Number:
AG001P3Z
Chemical Name:
1,18-Diazoniatricyclo[29.3.1.114,18]hexatriaconta-1(35),14,16,18(36),31,33-hexaene
CAS Number:
156953-85-4
Molecular Formula:
C34H56N2++
Molecular Weight:
492.8218
IUPAC Name:
1,18-diazoniatricyclo[29.3.1.114,18]hexatriaconta-1(34),14(36),15,17,31(35),32-hexaene
InChI:
InChI=1S/C34H56N2/c1-3-7-11-15-19-27-35-29-22-26-34(32-35)24-18-14-10-6-2-4-8-12-16-20-28-36-30-21-25-33(31-36)23-17-13-9-5-1/h21-22,25-26,29-32H,1-20,23-24,27-28H2/q+2
InChI Key:
CVJGOXTUHXIHPC-UHFFFAOYSA-N
SMILES:
C1CCCCCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cc(CCCCC1)ccc2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.444g/mol
Formal Charge:
2
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.836g/mol
Monoisotopic Mass:
492.444g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
Literature
| Title | Journal |
|---|---|
| Discovery of SCH446211 (SCH6): a new ketoamide inhibitor of the HCV NS3 serine protease and HCV subgenomic RNA replication. | Journal of medicinal chemistry 20060504 |
| Ingenamine G and cyclostellettamines G-I, K, and L from the new Brazilian species of marine sponge Pachychalina sp. | Journal of natural products 20041001 |
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