Naftopidil

C₂₄H₂₈N₂O₃CAS 57149-07-2392.50 g/mol

Open in Covalent MOL file

Alcohol Ether Tertiary amine

Properties

Molecular formula: C₂₄H₂₈N₂O₃
Molar mass: 392.50 g/mol
Exact mass: 392.2100 Da
Melting point: 125–126 °C
logP: 3.41Crippen estimate
Polar surface area: 45.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 7

Hazards

Warning

H361 Suspected of damaging fertility or the unborn child50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

57149-07-2

SMILES

COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1

InChIKey

HRRBJVNMSRJFHQ-UHFFFAOYSA-N

InChI

InChI=1S/C24H28N2O3/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

Weigh it out

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

Names and synonyms

10 names

1-Piperazineethanol, 4-(2-methoxyphenyl)-α-[(1-naphthalenyloxy)methyl]-
4-(2-Methoxyphenyl)-α-[(1-naphthalenyloxy)methyl]-1-piperazineethanol
(±)-Naftopidil
Naftopil
3-[4-(2-Methoxyphenyl)piperazinyl]-1-naphthyloxypropan-2-ol
Avishot
Flivas
KT 611
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-(naphthalen-1-yloxy)-propan-2-ol

Work with Naftopidil

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.

Naftopidil dihydrochloride57149-08-3Salt

Similar compounds

Ranolazine95635-55-549 % similar Propranolol525-66-648 % similar Ranolazine hydrochloride95635-56-647 % similar Guaifenesin93-14-146 % similar (+)-Propranolol hydrochloride13071-11-946 % similar Propranolol hydrochloride318-98-946 % similar Propranolol hydrochloride3506-09-046 % similar (S)-Propranolol hydrochloride4199-10-446 % similar

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

Same formula

Indacaterol312753-06-3 Ivacaftor873054-44-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook