Mirodenafil

C26H37N5O5SCAS 862189-95-5531.67 g/mol

Open in Covalent MOL file
OSOONNOHNOHNN
AlcoholEtherPhenolSulfonamideTertiary amine

Properties

Molecular formula
C26H37N5O5S
Molar mass
531.67 g/mol
Exact mass
531.2515 Da
logP
2.86Crippen estimate
Polar surface area
121.0 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
862189-95-5
SMILES
CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc(O)c2c(n1)c(CCC)cn2CC
InChIKey
MIJFNYMSCFYZNY-UHFFFAOYSA-N
InChI
InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)

Weigh it out

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

Names and synonyms

5 names
  • 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 5-ethyl-3,5-dihydro-2-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-7-propyl-
  • 1-Piperazineethanol, 4-[[3-(5-ethyl-4,5-dihydro-4-oxo-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]sulfonyl]-
  • 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
  • Mvix
  • 5-Ethyl-2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl]-2-propoxyphenyl]-7-propyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

Work with Mirodenafil

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.

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)862189-96-6Salt

Similar compounds

Vardenafil224785-90-440 % similar Vardenafil hydrochloride224785-91-539 % similar Sildenafil139755-83-238 % similar Vardenafil dihydrochloride224789-15-538 % similar Vardenafil hydrochloride trihydrate330808-88-338 % similar Pseudovardenafil224788-34-537 % similar o-Desethyl sildenafil139755-91-234 % similar Sildenafil citrate171599-83-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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