Basic information
- CAS
501120-42-9- Standard SMILES
CCCc1c2nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)[nH]c(=O)c2nn1C- InChIKey
XPOJLYGSFUUUDG-UHFFFAOYSA-N- Molecular formula
- C17H19ClN4O4S
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 410.081554
Names & identifiers
- Preferred name
- Demethylpiperazinyl Iso Sildenafil Sulfonyl Chloride
- IUPAC
- 4-ethoxy-3-(2-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride
- English name
- 3-(6,7-Dihydro-2-Methyl-7-oxo-3-propyl-2H-pyrazolo[4,3-d]pyriMidin-5-yl)-4-ethoxy-benzenesulfonyl Chloride
- Molecular formula
- C17H19ClN4O4S
- Molecular weight
- 410.88
Names & synonyms
501120-42-9Demethylpiperazinyl Iso Sildenafil Sulfonyl Chloride3-(6,7-Dihydro-2-methyl-7-oxo-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-benzenesulfonyl ChlorideSildenafil Impurity 64-Ethoxy-3-(2-methyl-7-oxo-3-propyl-4,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride4-ethoxy-3-(2-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chlorideFT-0665744orb3213107DTXSID104765304-ethoxy-3-(2-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride4-Ethoxy-3-(2-methyl-7-oxo-3-propyl-4,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)benzene-1-sulfonyl chlorideSildenafil Impurity 125
Show more names
Pinacolborane Impurity 10Chlorosulfone 2-Methyl IsomerSildenafil Chlorosulfone 2-Methyl Isomer4-ethoxy-3-(2-methyl-7-oxo-3-propyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chlorideBenzenesulfonyl chloride, 3-(6,7-dihydro-2-methyl-7-oxo-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-
Database identifiers
- CAS
501120-42-9- PubChem CID
- 135697486
- DTXSID
DTXSID10476530
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 696
Physicochemical properties
- Melting point
- 207 · 207-210oC (dec.)
- Boiling point
- 621.4 · 621.4±65.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- -0.17 · -0.17±0.20(Predicted)
- form
- Solid
- color
- Yellow to Green
Chemistry & industry
Applications
UsesIso Sildenafil (I900800) derivative. Intermediate in the preparation of Iso Sildenafil and Iso Viagra.
Suppliers10 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海昕化医药科技有限公司021-50211651 13651607026
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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