Mirodenafil
C26H37N5O5S
862189-95-5 Copyright (C) 2024 ACS
 37 40  0  0  0  0  0  0  0  0999 V2000
    5.7254   11.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2495   13.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   10.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3488    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3488    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0151    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4536    5.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
> <cas.rn>
862189-95-5

> <cas.index.name>
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-

> <molecular.formula>
C26H37N5O5S

> <molecular.weight>
531.67

> <boiling.point.predicted>
730.447±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.339±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.958±0.10    Most Acidic Temp: 25 °C

$$$$
