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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 Weight:
405.49500000000023 g/mol
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
Identifiers:
SMILES:
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 405.49500000000023 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 405.22637109199997 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 29 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 12 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 132.95999999999998 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.2352000000000007 | RDKit |
| molecular_mass | 405.50 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C(NC(C(=O)N1CCCC1C(=O)O)CCCCN)CCC=2C=CC=CC2 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=RLAWWYSOJDYHDC-BZSNNMDCSA-N None | Legacy Database |
| cas-melting-point | 162-165 °C None | Legacy Database |
| cas-name | Lisinopril None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 108.38670000000006 | RDKit |