Manidipine dihydrochloride

C₃₅H₄₀Cl₂N₄O₆CAS 89226-75-5683.63 g/mol

Open in Covalent MOL file

Alkene Ester Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₃₅H₄₀Cl₂N₄O₆
Molar mass: 683.63 g/mol
Exact mass: 682.2325 Da
logP: 5.80Crippen estimate
Polar surface area: 114.3 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 10

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled16.7% of notifiers
H301 Toxic if swallowed83.3% of notifiers
H311 Toxic in contact with skin16.7% of notifiers
H331 Toxic if inhaled16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H361 Suspected of damaging fertility or the unborn child33.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

89226-75-5

SMILES

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1.Cl.Cl

InChIKey

JINNGBXKBDUGQT-UHFFFAOYSA-N

InChI

InChI=1S/C35H38N4O6.2ClH/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;2*1H

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, hydrochloride (1:2)
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester, dihydrochloride
CV 4093
Franidipine hydrochloride
(±)-Manidipine dihydrochloride
Calslot

Work with Manidipine dihydrochloride

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

Manidipine120092-68-496 % similar Manidipine89226-50-696 % similar Nicardipine hydrochloride54527-84-375 % similar Nicardipine55985-32-571 % similar Nitrendipine39562-70-467 % similar Pranidipine99522-79-964 % similar Benidipine hydrochloride91599-74-564 % similar Barnidipine104713-75-961 % similar

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

Elsewhere

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