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156953-87-6

156953-87-6 | 1,18-Diazoniatricyclo[30.3.1.114,18]heptatriaconta-1(36),14,16,18(37),32,34-hexaene

CAS No: 156953-87-6 Catalog No: AG001P3Y MDL No:

Product Description

Catalog Number:
AG001P3Y
Chemical Name:
1,18-Diazoniatricyclo[30.3.1.114,18]heptatriaconta-1(36),14,16,18(37),32,34-hexaene
CAS Number:
156953-87-6
Molecular Formula:
C35H58N2++
Molecular Weight:
506.8484
IUPAC Name:
1,18-diazoniatricyclo[30.3.1.114,18]heptatriaconta-1(35),14(37),15,17,32(36),33-hexaene
InChI:
InChI=1S/C35H58N2/c1-2-6-10-14-18-24-34-26-22-31-37(32-34)29-21-17-13-9-5-3-7-11-15-19-25-35-27-23-30-36(33-35)28-20-16-12-8-4-1/h22-23,26-27,30-33H,1-21,24-25,28-29H2/q+2
InChI Key:
UBHWHOTUTGGLGV-UHFFFAOYSA-N
SMILES:
C1CCCCCCc2ccc[n+](c2)CCCCCCCCCCCCc2c[n+](CCCCCC1)ccc2

Properties

Complexity:
506  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.46g/mol
Formal Charge:
2  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.863g/mol
Monoisotopic Mass:
506.46g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5  

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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