chempirical

Sildenafil citrate

C28H38N6O11SCAS 171599-83-0666.70 g/mol

Open in Covalent MOL file
NNONHSOONNONOHOHOOOHOHO
AlcoholCarboxylic acidEtherSulfonamideTertiary amine

Properties

Molecular formula
C28H38N6O11S
Molar mass
666.70 g/mol
Exact mass
666.2319 Da
logP
0.36Crippen estimate
Polar surface area
245.6 Ų
H-bond donors / acceptors
5 / 11
Rotatable bonds
12

Hazards

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

Identifiers

CAS number
171599-83-0
SMILES
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
DEIYFTQMQPDXOT-UHFFFAOYSA-N
InChI
InChI=1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

26 names · show all
  • 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Piperazine, 1-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • 1-[[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-methylpiperazine, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • UK 92480-10
  • Viagra
  • UK 92480
  • Caverta 100
  • Kamagra
  • Vega (pharmaceutical)
  • Vega
  • Niagra actra-rx
  • Actra-rx
  • Sildegra
  • Edegra
  • Siligra
  • Penegra
  • Vigrex
  • Tonafil
  • Maxifort
  • Apodefil
  • Sollevare
  • Zenegra
  • Sildigra
  • Alisiga
  • Mysildecard
  • Granpidam

Work with Sildenafil citrate

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.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Citric acid77-92-9Free acid Sildenafil139755-83-2Free base Trisodium citrate68-04-2Salt Ammonium ferric citrate1185-57-5Salt Potassium citrate866-84-2Salt Calcium citrate813-94-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Clostilbegit50-41-9Salt Iron(III) citrate3522-50-7Salt

Similar compounds

o-Desethyl sildenafil139755-91-263 % similar Aildenafil496835-35-961 % similar 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one139756-22-257 % similar Acetildenafil831217-01-751 % similar 5-(2-Ethoxyphenyl)-1-methyl-3-N-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]-7-pyrimidinone139756-21-150 % similar Udenafil268203-93-649 % similar Vardenafil dihydrochloride224789-15-545 % similar Vardenafil224785-90-441 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook