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1359993-59-1 | Telratolimod
CAS No: 1359993-59-1 Catalog No: AG01FNFI MDL No:
Product Description
Catalog Number:
AG01FNFI
Chemical Name:
Telratolimod
CAS Number:
1359993-59-1
Molecular Formula:
C36H59N5O2
Molecular Weight:
593.8860
IUPAC Name:
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide
InChI:
InChI=1S/C36H59N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-27-33(42)38-28-22-23-29-43-41-32(26-6-4-2)40-34-35(41)30-24-20-21-25-31(30)39-36(34)37/h20-21,24-25H,3-19,22-23,26-29H2,1-2H3,(H2,37,39)(H,38,42)
InChI Key:
RRTPWQXEERTRRK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c1c1ccccc1nc2N
UNII:
16598XQ2BT
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
593.467g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
593.901g/mol
Monoisotopic Mass:
593.467g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.9
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