chempirical

Doxazosin mesylate

C24H29N5O8SCAS 77883-43-3547.58 g/mol

Open in Covalent MOL file
ONNNOOONHNHOSOOOH
AmideEtherSulfonic acidTertiary amine

Properties

Molecular formula
C24H29N5O8S
Molar mass
547.58 g/mol
Exact mass
547.1737 Da
logP
1.05Crippen estimate
Polar surface area
167.4 Ų
H-bond donors / acceptors
3 / 10
Rotatable bonds
4

Identifiers

CAS number
77883-43-3
SMILES
COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)[nH]c(=N)c2cc1OC.CS(=O)(=O)O
InChIKey
VJECBOKJABCYMF-UHFFFAOYSA-N
InChI
InChI=1S/C23H25N5O5.CH4O3S/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;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)

Weigh it out

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

Names and synonyms

21 names · show all
  • Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2,3-dihydro-1,4-benzodioxin-2-yl)-, methanesulfonate (1:1)
  • Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-, monomethanesulfonate
  • 1,4-Benzodioxin, piperazine deriv.
  • Cardenalin
  • Carduran
  • Doxazolazine mesylate
  • Cardura
  • Cardura (pharmaceutical)
  • Diblocin
  • Cardran
  • Normothen
  • Supressin
  • Alfadil
  • UK 33274-27
  • Doxazosin monomethanesulfonate
  • Cardular
  • Cardura XL
  • Dosin
  • Doxacor
  • Doxacard
  • 2-[4-(2,3-Dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine; methanesulfonic acid

Work with Doxazosin mesylate

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

Doxazosin74191-85-886 % similar Terazosin63590-64-760 % similar Terazosin hydrochloride63074-08-859 % similar Terazosin monohydrochloride dihydrate70024-40-757 % similar Prazosin19216-56-952 % similar Prazosin hydrochloride19237-84-451 % similar 2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline60547-97-948 % similar 1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride70918-74-042 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook