chempirical

Vardenafil hydrochloride

C23H33ClN6O4SCAS 224785-91-5525.07 g/mol

Open in Covalent MOL file
NONSOONNONHNHCl
EtherSulfonamideTertiary amine

Properties

Molecular formula
C23H33ClN6O4S
Molar mass
525.07 g/mol
Exact mass
524.1973 Da
logP
2.49Crippen estimate
Polar surface area
112.9 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8

Identifiers

CAS number
224785-91-5
SMILES
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12.Cl
InChIKey
XCMULUAPJXCOHI-UHFFFAOYSA-N
InChI
InChI=1S/C23H32N6O4S.ClH/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H

Weigh it out

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

Names and synonyms

3 names
  • Imidazo[5,1-f][1,2,4]triazin-4(1H)-one, 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-, hydrochloride (1:1)
  • Piperazine, 1-[[3-(1,4-dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxyphenyl]sulfonyl]-4-ethyl-, monohydrochloride
  • Levitra

Work with Vardenafil hydrochloride

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.

Vardenafil hydrochloride trihydrate330808-88-3Hydrate Vardenafil224785-90-4Free base

Similar compounds

Pseudovardenafil224788-34-581 % similar Vardenafil dihydrochloride224789-15-573 % similar 2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one224789-21-359 % similar Sildenafil139755-83-248 % similar Aildenafil496835-35-942 % similar 5-Ethyl-3,5-dihydro-2-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-7-propyl-4H-pyrrolo[3,2-d]pyrimidin-4-one hydrochloride (1:2)862189-96-642 % similar Sildenafil citrate171599-83-040 % similar Acetildenafil831217-01-739 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook