CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 148 |
| Solubility | 97000 mg/L |
| LogP | -1.01 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitric oxides/. |
| Dissociation Constants | 2.5 (at 25 °C) |
| Collision Cross Section | 189.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | White to off-white, odorless , crystalline powder. Crystals from methanol:ethyl acetate, mp 159-160 °C. pKa1 = 2.5; pKa2 = 4.0; pKa3 = 6.7; pKa4 = 10.1 at (25 °C). log P (n-octanol/0.1M ph 7 phosphate buffer): 10.5; Approximate UV max (0.1N NaOH): 246, 254, 258, 261, 267 nm (A 1%(cm) 4.0, 4.5, 5.1, 3.7): (0.1 N HCl): 246, 253, 258, 264, 267 nm (A 1%(cm) 3.2, 3.9, 4.5, 3.0, 2.8). Specific optical rotation: -23.3 deg at 26 °C/D (c = 1.0 in CH3-OH); -120 deg at 25 °C/405 ( c = 1 in 0.25M pH 6.4 zinc aceate); -96 deg at 25 °C/436 ( c = 1 in 0.25M pH 6.4 zinc acetate). Soluble in water; sparingly solluble in methanol. Practically insoluble in ethano,a cetone, acetonitrile, chlorform, DMF. /Lisinopril dihyrate/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H361:Reproductive toxicity H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 405.5 g/mol |
|---|---|
| XLogP3 | -2.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 405.22637110 g/mol |
| Monoisotopic Mass | 405.22637110 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 550 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Lisinopril is a dipeptide. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. It contains a L-prolino group and a L-lysine residue.