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Home > Other Heterocycles > 1346599-17-4
1346599-17-4 | 6,10-DihydroxyBuspirone-d8
CAS No: 1346599-17-4 Catalog No: AG01E19T MDL No:
Product Description
Catalog Number:
AG01E19T
Chemical Name:
6,10-DihydroxyBuspirone-d8
CAS Number:
1346599-17-4
IUPAC Name:
6,10-dihydroxy-8-[1,1,2,2,3,3,4,4-octadeuterio-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C21H31N5O4/c27-16-18(29)26(19(30)17(28)21(16)6-1-2-7-21)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9,16-17,27-28H,1-4,6-7,10-15H2/i3D2,4D2,10D2,11D2
InChI Key:
GZDZGTXOYYJHTI-QGZHXTQCSA-N
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.288g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
8
Molecular Weight:
425.559g/mol
Monoisotopic Mass:
425.288g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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