Vardenafil hydrochloride trihydrate

C₂₃H₃₉ClN₆O₇SCAS 330808-88-3579.11 g/mol

Open in Covalent MOL file

Ether Sulfonamide Tertiary amine

Properties

Molecular formula: C₂₃H₃₉ClN₆O₇S
Molar mass: 579.11 g/mol
Exact mass: 578.2289 Da
logP: 0.02Crippen estimate
Polar surface area: 207.4 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 8

Identifiers

CAS number

330808-88-3

SMILES

CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12.Cl.O.O.O

InChIKey

FBCDRHDULQYRTB-UHFFFAOYSA-N

InChI

InChI=1S/C23H32N6O4S.ClH.3H2O/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;3*1H2

Weigh it out

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

Names and synonyms

2 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, hydrate (1:1:3)
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, trihydrate

Work with Vardenafil hydrochloride trihydrate

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.

Vardenafil224785-90-4Free base Vardenafil hydrochloride224785-91-5Anhydrous

Similar compounds

Pseudovardenafil224788-34-578 % similar Vardenafil dihydrochloride224789-15-570 % similar 2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-F][1,2,4]triazin-4-one224789-21-357 % similar Sildenafil139755-83-246 % similar Aildenafil496835-35-941 % 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)862189-96-640 % similar Sildenafil citrate171599-83-039 % similar Acetildenafil831217-01-738 % similar

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

Elsewhere

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