CAS Number81872-10-8
SynonymsUNII-290ZY759PI; (4S)-N-((S)-3-Mercapto-2-methylpropionyl)-4-(phenylthio)-L-proline Benzoate (Ester); Zoprace; (1(R*),2a,4a)-1-(3-(Benzoylthio)-2-methyl-1-oxopropyl)-4-(phenylthio)-L-proline; Zofenopril; (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline; Zofenoprilum; (2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid; MFCD00004046; EINECS 201-705-8
Molecular FormulaC22H23NO4S2
Molecular Weight429.552
Purity98%
Density1.3±0.1 g/cm3
Boiling Point646.3±55.0 °C at 760 mmHg
Melting Point129-131.5ºC(lit.)
Appearancecrystalline | light yellow
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 81872-10-8 |
| Catalog No. | 2A-9012998 |
| Chinese Name | 佐芬普利 |
| Synonyms | UNII-290ZY759PI; (4S)-N-((S)-3-Mercapto-2-methylpropionyl)-4-(phenylthio)-L-proline Benzoate (Ester); Zoprace; (1(R*),2a,4a)-1-(3-(Benzoylthio)-2-methyl-1-oxopropyl)-4-(phenylthio)-L-proline; Zofenopril; (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline; Zofenoprilum; (2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid; MFCD00004046; EINECS 201-705-8 |
| Molecular Formula | C22H23NO4S2 |
| Molecular Weight | 429.552 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 646.3±55.0 °C at 760 mmHg |
| Melting Point | 129-131.5ºC(lit.) |
| Appearance | crystalline | light yellow |
| Storage Condition | 2-8°C |
| Application | Zofenopril is an angiotensin-converting enzyme (ACE) inhibitor with an IC50 value of 81 μM. |
| SMILES | CC(CSC(=O)c1ccccc1)C(=O)N1CC(Sc2ccccc2)CC1C(=O)O |
| InChI | InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1 |
| InChI Key | IAIDUHCBNLFXEF-MNEFBYGVSA-N |
| Transport Info | Product name: Zofenopril-d5 |
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