chempirical

Vardenafil dihydrochloride

C23H34Cl2N6O4SCAS 224789-15-5561.52 g/mol

Open in Covalent MOL file
NNNHNOSOONNOHClHCl
EtherSulfonamideTertiary amine

Properties

Molecular formula
C23H34Cl2N6O4S
Molar mass
561.52 g/mol
Exact mass
560.1739 Da
logP
2.91Crippen estimate
Polar surface area
112.9 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8

Identifiers

CAS number
224789-15-5
SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.Cl.Cl
InChIKey
NOIHTGOGFDFCBN-UHFFFAOYSA-N
InChI
InChI=1S/C23H32N6O4S.2ClH/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);2*1H

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Work with Vardenafil dihydrochloride

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

Vardenafil hydrochloride224785-91-573 % similar Vardenafil hydrochloride trihydrate330808-88-370 % similar Vardenafil224785-90-469 % similar Pseudovardenafil224788-34-558 % similar Sildenafil139755-83-255 % similar Aildenafil496835-35-948 % similar Sildenafil citrate171599-83-045 % similar Acetildenafil831217-01-745 % similar

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

Elsewhere

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