Lisinopril dihydrate

C₂₁H₃₅N₃O₇CAS 83915-83-7441.53 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine Secondary amine

Properties

Molecular formula: C₂₁H₃₅N₃O₇
Molar mass: 441.53 g/mol
Exact mass: 441.2475 Da
logP: -0.41Crippen estimate
Polar surface area: 196.0 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 12
Stereocentres: S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

83915-83-7

SMILES

NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O

InChIKey

CZRQXSDBMCMPNJ-ZUIPZQNBSA-N

InChI

InChI=1S/C21H31N3O5.2H2O/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);2*1H2/t16-,17-,18-;;/m0../s1

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Names and synonyms

3 names

L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-, hydrate (1:2)
L-Proline, 1-[N2-(1-carboxy-3-phenylpropyl)-L-lysyl]-, dihydrate, (S)-
L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-, dihydrate

Work with Lisinopril dihydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lisinopril76547-98-3Anhydrous

Similar compounds

N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline hydrate (1:2)84680-54-672 % similar Enalaprilat76420-72-967 % similar Cilazapril monohydrate92077-78-656 % similar Enalapril75847-73-354 % similar Cilazapril88768-40-551 % similar Enalapril maleate76095-16-449 % similar Z-D-Lys-oh70671-54-448 % similar Ramiprilat87269-97-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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