Doxazosin

C₂₃H₂₅N₅O₅CAS 74191-85-8451.48 g/mol

Open in Covalent MOL file

Amide Ether Tertiary 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 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed20% of notifiers
H314 Causes severe skin burns and eye damage80% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure80% of notifiers
H411 Toxic to aquatic life with long lasting effects80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P391, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Doxazosin mesylate77883-43-3Salt

Similar compounds

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-(1,4-Benzodioxan-2-ylcarbonyl)piperazine hydrochloride70918-74-048 % similar (S)-1,4-Benzodioxan-2-carboxypiperazine401941-54-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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