chempirical

Manidipine

C35H38N4O6CAS 89226-50-6610.71 g/mol

Open in Covalent MOL file
OONHOONNN+OO−
AlkeneEsterNitroSecondary amineTertiary amine

Properties

Molecular formula
C35H38N4O6
Molar mass
610.71 g/mol
Exact mass
610.2791 Da
Melting point
125–128 °C
logP
4.95Crippen estimate
Polar surface area
114.3 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
10

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
89226-50-6
SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
InChIKey
ANEBWFXPVPTEET-UHFFFAOYSA-N
InChI
InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl] 5-methyl ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester
  • Franidipine
  • (±)-Manidipine
  • Manidipine 6300
  • 2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-[2-(4-benzhydryl-piperazin-1-yl)-ethyl] ester 5-methyl ester

Work with Manidipine

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

Manidipine dihydrochloride89226-75-596 % similar Nicardipine55985-32-574 % similar Nicardipine hydrochloride54527-84-371 % similar Nitrendipine39562-70-470 % similar Pranidipine99522-79-967 % similar Barnidipine104713-75-964 % similar 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester74936-72-463 % similar Benidipine105979-17-762 % similar

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

Same formula

Manidipine120092-68-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook