chempirical

Cyclazosin

C23H28ClN5O4CAS 146929-33-1473.96 g/mol

Open in Covalent MOL file
ONNNOONHNHOHCl
AmideEtherTertiary amine

Properties

Molecular formula
C23H28ClN5O4
Molar mass
473.96 g/mol
Exact mass
473.1830 Da
logP
3.35Crippen estimate
Polar surface area
107.7 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
4
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
146929-33-1
SMILES
COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@H]43)[nH]c(=N)c2cc1OC.Cl
InChIKey
SKDIDWRQDBIQBS-BUROELJPNA-N
InChI
InChI=1/C23H27N5O4.ClH/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18;/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26);1H/t16-,17+;/s2

Weigh it out

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

Names and synonyms

3 names
  • Methanone, [(4ar,8as)-4-(4-amino-6,7-dimethoxy-2-quinazolinyl)octahydro-1(2H)-quinoxalinyl]-2-furanyl-, hydrochloride (1:1), rel-
  • Quinoxaline, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)decahydro-, monohydrochloride, cis-
  • Quinoxaline, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)decahydro-, monohydrochloride, (4aR,8aS)-rel-

Work with Cyclazosin

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

Prazosin hydrochloride19237-84-468 % similar Prazosin19216-56-965 % similar Terazosin hydrochloride63074-08-848 % similar Terazosin monohydrochloride dihydrate70024-40-747 % similar Terazosin63590-64-746 % similar Doxazosin74191-85-845 % similar 2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline60547-97-943 % similar Alfuzosin hydrochloride81403-68-142 % similar

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

Elsewhere

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