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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
L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-
L-Proline, 1-[N2-(1-carboxy-3-phenylpropyl)-L-lysyl]-, (S)-
N2-[(1S)-1-Carboxy-3-phenylpropyl]-L-lysyl-L-proline
MK 521
N-(1(S)-Carboxy-3-phenylpropyl)-L-lysyl-L-proline
Lisinopril
MK 522
Zestril
Prinivil
N2-[(S)-1-Carboxy-3-phenylpropyl]-L-lysyl-L-proline
Carace
Cipral
Cipril
Coric
Inopril
Acerbon
Alapril
Lipril
Lisipril
Lisoril
Lispril
Listril
Noperten
Novatec
Presiten
Prinil
Prinvil
Tensopril
Tensyn
Vivatec
Linopril
Linvas
Lisopril
Lizonoton
Nanopril
Diroton
Longes
Lisitec
Loril
Skopryl
Amicor
Irumed
Laaven
Lizinopril
Optimon
Vitopril
Lisigamma
Lisinopril Sandoz
Ranolip
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | 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 | 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 | Legacy Database | |
| cas-inchi-key | InChIKey=RLAWWYSOJDYHDC-BZSNNMDCSA-N | Legacy Database | |
| cas-melting-point | 162-165 °C | Legacy Database | |
| cas-name | Lisinopril | Legacy Database | |
| LogP | 1.2352000000000007 | RDKit | |
| Molecular | Molecular Weight | 405.49500000000023 g/mol | RDKit |
| Exact | Exact Molecular Weight | 405.22637109199997 g/mol | RDKit |
| Heavy | Heavy Atom Count | 29 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit | |
| Rotatable | Rotatable Bonds | 12 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 132.95999999999998 Ų | RDKit |
| Molar | Molar Refractivity | 108.38670000000006 | RDKit |
