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139756-21-1

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139756-21-1 Structure

139756-21-1 Structure
IdentificationBack Directory
[Name]

5-(2-ETHOXYPHENYL)-1-METHYL-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO[4,3-D]-7-PYRIMIDINONE
[CAS]

139756-21-1
[Synonyms]

UK 088800
5-(2-Ethoxyphenyl)
Sildenafil LactaM IMpurity
5-(2-ETHOXYPHENYL)-1-METHYL-3-N-PROPYL-1
-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)
5-(2-ethoxyphenyl)-1-Methyl-3-propyl-6H-pyrazolo[4,3-d]pyriMidin-7-one
5-(2-Ethoxyphenyl)-1-Methyl-3-propyl-1H-pyrazolo[4,3-d]pyriMidin-7(6H)-one
5-(2-ETHOXYPHENYL)-1-ME-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO(4,3D)-7-PYRIMIDIN
5-(2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7h-pyrazolo[4,3-d]-7-pyrimidinone
5-(2-ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE,5-(2-ETHOXYPHENYL)-1,4-DIHYDRO-1-METHYL-3-PROPYL-
5-(2-ETHOXYPHENYL)-1-METHYL-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO[4,3-D]-7-PYRIMIDINONE
5-(2-ETHOXYPHENYL)-1-METHYL-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE
5-(2-Ethoxy Phenyl)-1,6-Dihydro-1-MethyI-3-Propyl-7H-Pyrazolo-[4,3-d] Pyrimidin-7-one.
5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
5-(2-Ethoxyphenyl)-1-Methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyriMidinone
[Molecular Formula]

C17H20N4O2
[MDL Number]

MFCD03093929
[MOL File]

139756-21-1.mol
[Molecular Weight]

312.37
Chemical PropertiesBack Directory
[Appearance]

Light-Yellow Solid
[Melting point ]

141-145 °C(lit.)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.27±0.20(Predicted)
[color ]

White to Pale Beige
[InChI]

InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
[InChIKey]

MXQUEDUMKWBYHI-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=CC=C2OCC)NC(=O)C2N(C)N=C(CCC)C=2N=1
[CAS DataBase Reference]

139756-21-1
Hazard InformationBack Directory
[Chemical Properties]

Light-Yellow Solid
[Uses]

Sildenafil impurity
[Definition]

ChEBI: Imidazosagatriazinone is a pyrazolopyrimidine.
[IC 50]

PDE5: 5 nM (IC50); PDE1: 300 nM (IC50)
[storage]

Store at -20°C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sulfuric acid-->Sodium-->Thionyl chloride-->Nitric acid-->Diethyl oxalate-->tert-Butanol-->Bromoethane-->Stannous chloride dihydrate-->Methylhydrazine-->Potassium tert-butoxide-->Salicylaldehyde-->2-Pentanone
[Preparation Products]

Thiosildenafil-->5-[5-(2-Chloroacetyl)-2-ethoxyphenyl]-1,6-dihydro-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidin-7-one-->Hydroxyhomosildenafil-->5-(2-Ethoxyphenyl)-1,6-dihydro-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidine-7-thione-->7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(5-bromo-2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-
Spectrum DetailBack Directory
[Spectrum Detail]

5-(2-ETHOXYPHENYL)-1-METHYL-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO[4,3-D]-7-PYRIMIDINONE(139756-21-1)1HNMR
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