chempirical

Doxazosin

C23H25N5O5CAS 74191-85-8451.48 g/mol

Open in Covalent MOL file
ONNNOOONHNHO
AmideEtherTertiary amine

Properties

Molecular formula
C23H25N5O5
Molar mass
451.48 g/mol
Exact mass
451.1856 Da
Melting point
249–251 °C
logP
1.55Crippen estimate
Polar surface area
113.0 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
4

Identifiers

CAS number
74191-85-8
SMILES
COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)[nH]c(=N)c2cc1OC
InChIKey
RUZYUOTYCVRMRZ-UHFFFAOYSA-N
InChI
InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2,3-dihydro-1,4-benzodioxin-2-yl)-
  • Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-
  • 1,4-Benzodioxin, piperazine deriv.
  • [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone
  • UK 33274
  • (±)-Doxazosin
  • Doxazosine
  • Doxuran
  • 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazine
  • [4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
  • 2-[4-(2,3-Dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

Work with Doxazosin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Doxazosin mesylate77883-43-386 % similar Terazosin63590-64-769 % similar Terazosin hydrochloride63074-08-867 % similar Terazosin monohydrochloride dihydrate70024-40-764 % similar Prazosin19216-56-959 % similar Prazosin hydrochloride19237-84-457 % similar 2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline60547-97-955 % similar 1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride70918-74-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook