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2109414-80-2 | LDN212854trihydrochloride
CAS No: 2109414-80-2 Catalog No: AG01FN92 MDL No:
Product Description
Catalog Number:
AG01FN92
Chemical Name:
LDN212854trihydrochloride
CAS Number:
2109414-80-2
IUPAC Name:
5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;trihydrochloride
InChI:
InChI=1S/C25H22N6.3ClH/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30;;;/h1-10,15-17,26H,11-14H2;3*1H
InChI Key:
RIMSXBSYXNLYPT-UHFFFAOYSA-N
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.121g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
515.867g/mol
Monoisotopic Mass:
514.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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