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70476-65-2 | 1,4-DIHYDROXY-5,8-BIS((2-(4-MORPHOLINYL)ETHYL)AMINO)-9,10-ANTHRACENEDI ONE
CAS No: 70476-65-2 Catalog No: AG005IKG MDL No:
Product Description
Catalog Number:
AG005IKG
Chemical Name:
1,4-DIHYDROXY-5,8-BIS((2-(4-MORPHOLINYL)ETHYL)AMINO)-9,10-ANTHRACENEDI ONE
CAS Number:
70476-65-2
Molecular Formula:
C26H32N4O6
Molecular Weight:
496.5555
IUPAC Name:
1,4-dihydroxy-5,8-bis(2-morpholin-4-ylethylamino)anthracene-9,10-dione
InChI:
InChI=1S/C26H32N4O6/c31-19-3-4-20(32)24-23(19)25(33)21-17(27-5-7-29-9-13-35-14-10-29)1-2-18(22(21)26(24)34)28-6-8-30-11-15-36-16-12-30/h1-4,27-28,31-32H,5-16H2
InChI Key:
HTEVDQWBPSQOIT-UHFFFAOYSA-N
SMILES:
O=C1c2c(NCCN3CCOCC3)ccc(c2C(=O)c2c1c(O)ccc2O)NCCN1CCOCC1
Properties
Complexity:
697
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.232g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
496.564g/mol
Monoisotopic Mass:
496.232g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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