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102932-29-6 | 6'-Hydroxy Doxazosin
CAS No: 102932-29-6 Catalog No: AG007J1X MDL No:
Product Description
Catalog Number:
AG007J1X
Chemical Name:
6'-Hydroxy Doxazosin
CAS Number:
102932-29-6
Molecular Formula:
C23H25N5O6
Molecular Weight:
467.4745
IUPAC Name:
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
InChI:
InChI=1S/C23H25N5O6/c1-31-17-10-14-15(11-18(17)32-2)25-23(26-21(14)24)28-7-5-27(6-8-28)22(30)20-12-33-16-4-3-13(29)9-19(16)34-20/h3-4,9-11,20,29H,5-8,12H2,1-2H3,(H2,24,25,26)
InChI Key:
CAWNIHKSMVDTKO-UHFFFAOYSA-N
SMILES:
COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1COc2c(O1)cc(cc2)O
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.18g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.482g/mol
Monoisotopic Mass:
467.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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