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| CAS No.: | 76420-72-9 |
|---|---|
| Name: | Enalaprilat |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C18H24N2O5 |
| Molecular Weight: | 348.399 |
| Synonyms: | L-Proline,1-[N-(1-carboxy-3-phenylpropyl)-L-alanyl]-, (S)-;Enalapril acid;Enalaprildiacid;Enalaprilate;Enalaprilic acid;MK 421 diacid;MK 422;N-[1(S)-Carboxy-3-phenylpropyl]-L-alanyl-L-proline; |
| EINECS: | 278-459-3 |
| Density: | 1.286±0.06 g/cm3(Predicted) |
| Melting Point: | 148-151 °C |
| Boiling Point: | 601 °C at 760 mmHg |
| Flash Point: | 317.3 °C |
| Solubility: | Soluble in water with heating (~60°C) |
| Appearance: | white crystalline solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 106.94000 |
| LogP: | 1.45490 |
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Chemistry
Molecular Structure of L-Proline,N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl- (CAS No. 76420-72-9):
IUPAC Name: N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline
Molecular Formula: C18H24N2O5
Molecular Weight: 348.39
CAS Registry Number: 76420-72-9
Appearance: White Crystalline Solid
Melting Point: 148-151°C
Index of Refraction: 1.579
Molar Refractivity: 90.05 cm3
Molar Volume: 270.7 cm3
Surface Tension: 59.8 dyne/cm
Density: 1.286 g/cm3
Flash Point: 317.3 °C
Enthalpy of Vaporization: 94.05 kJ/mol
Boiling Point: 601 °C at 760 mmHg
Vapour Pressure: 2.71E-15 mmHg at 25°C
EINECS: 278-459-3
Product Categories: Active Pharmaceutical Ingredients;Various Metabolites and Impurities;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
Structure Descriptors of L-Proline,N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl- (CAS No. 76420-72-9):
SMILES: O=C(O)[C@H]2N(C(=O)[C@@H](N[C@H](C(=O)O)CCc1ccccc1)C)CCC2
InChI: InChI=1/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
InChIKey: LZFZMUMEGBBDTC-QEJZJMRPBX
Std. InChI: InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
Std. InChIKey: LZFZMUMEGBBDTC-QEJZJMRPSA-N
Specification
L-Proline,N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl- with cas registry number of 76420-72-9 is also called Enalaprilat anhydrous ; Enalapril acid ; Enalapril diacid ; Enalaprilat ; Enalaprilate ; Enalaprilate [French] ; Enalaprilatum ; Enalaprilatum [Latin] ; Enalaprilic acid ; MK 421 diacid ; MK 422 ; N-(1(S)-Carboxy-3-phenylpropyl)-L-alanyl-L-proline ; UNII-Q508Q118JM ; Vasotec ; enalaprilat [Spanish] ; L-Proline, 1-(N-(1-carboxt-3-phenylpropyl)-L-alanyl)-, (S)- ; L-Proline, N-((1S)-1-carboxy-3-phenylpropyl)-L-alanyl- .