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1226759-47-2 | LCL521 dihydrochloride
CAS No: 1226759-47-2 Catalog No: AG01FPET MDL No:
Product Description
Catalog Number:
AG01FPET
Chemical Name:
LCL521 dihydrochloride
CAS Number:
1226759-47-2
IUPAC Name:
[3-[2-(dimethylamino)acetyl]oxy-3-(4-nitrophenyl)-2-(tetradecanoylamino)propyl] 2-(dimethylamino)acetate;dihydrochloride
InChI:
InChI=1S/C31H52N4O7.2ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-28(36)32-27(24-41-29(37)22-33(2)3)31(42-30(38)23-34(4)5)25-18-20-26(21-19-25)35(39)40;;/h18-21,27,31H,6-17,22-24H2,1-5H3,(H,32,36);2*1H
InChI Key:
RGUSRMLMLNVDSF-UHFFFAOYSA-N
Properties
Complexity:
780
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
664.337g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
665.694g/mol
Monoisotopic Mass:
664.337g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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