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Molecule
Lisinopril
CAS: 76547-98-3 · C21H31N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 76547-98-3
- Molecular Formula
- C21H31N3O5
- Molecular Mass
- 405.50 g/mol
Identifiers
CAS Registry Number
76547-98-3
SMILES
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChI Key
RLAWWYSOJDYHDC-BZSNNMDCSA-N
InChI
InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Names and Synonyms
- Lisinopril Synonym
- L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl- Synonym
- L-Proline, 1-[N2-(1-carboxy-3-phenylpropyl)-L-lysyl]-, (S)- Synonym
- N2-[(1S)-1-Carboxy-3-phenylpropyl]-L-lysyl-L-proline Synonym
- MK 521 Synonym
- N-(1(S)-Carboxy-3-phenylpropyl)-L-lysyl-L-proline Synonym
- Lisinopril Synonym
- MK 522 Synonym
- Zestril Synonym
- Prinivil Synonym
- N2-[(S)-1-Carboxy-3-phenylpropyl]-L-lysyl-L-proline Synonym
- Carace Synonym
- Cipral Synonym
- Cipril Synonym
- Coric Synonym
- Inopril Synonym
- Acerbon Synonym
- Alapril Synonym
- Lipril Synonym
- Lisipril Synonym
- Lisoril Synonym
- Lispril Synonym
- Listril Synonym
- Noperten Synonym
- Novatec Synonym
- Presiten Synonym
- Prinil Synonym
- Prinvil Synonym
- Tensopril Synonym
- Tensyn Synonym
- Vivatec Synonym
- Linopril Synonym
- Linvas Synonym
- Lisopril Synonym
- Lizonoton Synonym
- Nanopril Synonym
- Diroton Synonym
- Longes Synonym
- Lisitec Synonym
- Loril Synonym
- Skopryl Synonym
- Amicor Synonym
- Irumed Synonym
- Laaven Synonym
- Lizinopril Synonym
- Optimon Synonym
- Vitopril Synonym
- Lisigamma Synonym
- Lisinopril Sandoz Synonym
- Ranolip Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 405.50 g/mol | CAS Common Chemistry |
| 405.49500000000023 g/mol | RDKit | |
| 405.495 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(C(=O)N1CCCC1C(=O)O)CCCCN)CCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RLAWWYSOJDYHDC-BZSNNMDCSA-N | CAS Common Chemistry |
| Melting Point | 162-165 °C | CAS Common Chemistry |
| Name | Lisinopril | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 132.95999999999998 Ų | RDKit |
| 132.96 Ų | RDKit | |
| 132.73 Ų | chempirical lib | |
| LogP | 1.2352000000000007 | RDKit |
| 1.2352 | RDKit | |
| Molar Refractivity | 108.38670000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 405.22637109199997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 405.50 g/mol. Edit any field — others recompute live.
