Lercanidipine

C₃₆H₄₁N₃O₆CAS 100427-26-7611.74 g/mol

Open in Covalent MOL file

Alkene Ester Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₃₆H₄₁N₃O₆
Molar mass: 611.74 g/mol
Exact mass: 611.2995 Da
logP: 6.48Crippen estimate
Polar surface area: 111.0 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 12

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

100427-26-7

SMILES

COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1

InChIKey

ZDXUKAKRHYTAKV-UHFFFAOYSA-N

InChI

InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl methyl ester
Masnidipine
Zanidip
2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-[2-[(3,3-diphenyl-propyl)-methyl-amino]-1,1-dimethyl-ethyl] ester 5-methyl ester

Work with Lercanidipine

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

Similar compounds

Lercanidipine hydrochloride132866-11-696 % similar Nicardipine55985-32-565 % similar Nicardipine hydrochloride54527-84-362 % similar Nitrendipine39562-70-460 % similar Manidipine120092-68-460 % similar Manidipine89226-50-660 % similar Barnidipine104713-75-959 % similar 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester74936-72-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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