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102932-26-3 | 6-Hydroxy Doxazosin
CAS No: 102932-26-3 Catalog No: AG008671 MDL No:
Product Description
Catalog Number:
AG008671
Chemical Name:
6-Hydroxy Doxazosin
CAS Number:
102932-26-3
Molecular Formula:
C22H23N5O5
Molecular Weight:
437.4485
IUPAC Name:
[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
InChI:
InChI=1S/C22H23N5O5/c1-30-18-11-14-13(10-15(18)28)20(23)25-22(24-14)27-8-6-26(7-9-27)21(29)19-12-31-16-4-2-3-5-17(16)32-19/h2-5,10-11,19,28H,6-9,12H2,1H3,(H2,23,24,25)
InChI Key:
DSVHRYIETHRCFI-UHFFFAOYSA-N
SMILES:
COc1cc2nc(nc(c2cc1O)N)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.17g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.456g/mol
Monoisotopic Mass:
437.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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