Sildenafil citrate monohydrate
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;5-[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrate
Molecular Identity
Sildenafil citrate monohydrate
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;5-[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrate
PubChem CID: 139067414
2D Structure
Properties
C28H40N6O12S
Molecular Formula
684.70
Molecular Weight
g/mol
684.2425
Exact Mass
Da
255
TPSA
May have limited oral absorption
6
H-Bond Donors
15
H-Bond Acceptors
1060
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC[NH+](CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.OIsomeric SMILES
SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC[NH+](CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.OSynonyms(4)
sildenafil citrate monohydrateSildenafil Citrate (Viagra)1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)- 4-ethoxyphenyl]sulfonyl}-4-methylpiperazinium citrate monohydrate1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methylpiperaziniumcitrate semihydrate
Data from PubChem (NCBI)
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Trials and conditions connected to Sildenafil citrate monohydrate
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