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N-Desmethyl Sildenafil-d8
[CAS# 1185168-06-2]

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Identification
Name N-Desmethyl Sildenafil-d8
Synonyms 5-[2-ethoxy-5-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Molecular Structure CAS # 1185168-06-2, N-Desmethyl Sildenafil-d8, 5-[2-ethoxy-5-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Molecular Formula C21H28N6O4S
Molecular Weight 468.60
CAS Registry Number 1185168-06-2
SMILES [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC4=C(C(=O)N3)N(N=C4CCC)C)([2H])[2H])[2H]
Properties
Solubility 21.09 mg/L (25 ºC water)
Density 1.4±0.1 g/cm3, Calc.*
Index of Refraction 1.683, Calc.*
Melting point 319.94 ºC
Boiling Point 729.80 ºC, 685.7±65.0 ºC (760 mmHg), Calc.*
Flash Point 368.5±34.3 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol symbol   GHS07;GHS08 Danger    Details
Hazard Statements H302-H315-H317-H319-H334-H335-H336    Details
Precautionary Statements P261-P305/P351/P338-P304/P340-P301/P312-P302/P352-P403/P233    Details
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