Naftopidil dihydrochloride

C24H30Cl2N2O3CAS 57149-08-3465.42 g/mol

Open in Covalent MOL file
ONNHOOHClHCl
AlcoholEtherTertiary amine

Properties

Molecular formula
C24H30Cl2N2O3
Molar mass
465.42 g/mol
Exact mass
464.1633 Da
Melting point
212–213 °C
logP
4.25Crippen estimate
Polar surface area
45.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
7

Hazards

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

Search the SDS library

Identifiers

CAS number
57149-08-3
SMILES
COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1.Cl.Cl
InChIKey
HZVCEQMJXMUXJF-UHFFFAOYSA-N
InChI
InChI=1S/C24H28N2O3.2ClH/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23;;/h2-12,20,27H,13-18H2,1H3;2*1H

Weigh it out

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

Names and synonyms

2 names
  • 1-Piperazineethanol, 4-(2-methoxyphenyl)-α-[(1-naphthalenyloxy)methyl]-, hydrochloride (1:2)
  • 1-Piperazineethanol, 4-(2-methoxyphenyl)-α-[(1-naphthalenyloxy)methyl]-, dihydrochloride

Work with Naftopidil 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

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.

Naftopidil57149-07-2Free base

Similar compounds

Ranolazine hydrochloride95635-56-651 % similar (+)-Propranolol hydrochloride13071-11-951 % similar Propranolol hydrochloride318-98-951 % similar Propranolol hydrochloride3506-09-051 % similar (S)-Propranolol hydrochloride4199-10-451 % similar 1-(2-Methoxyphenyl)-4-(3-chloropropyl)piperazine dihydrochloride21279-77-648 % similar Ranolazine95635-55-547 % similar Propranolol525-66-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook