Naftidrofuryl

C24H33NO3CAS 31329-57-4383.53 g/mol

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NOOO
EsterEtherTertiary amine

Properties

Molecular formula
C24H33NO3
Molar mass
383.53 g/mol
Exact mass
383.2460 Da
Boiling point
190 °C
logP
4.45Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
31329-57-4
SMILES
CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
InChIKey
KBAFPSLPKGSANY-UHFFFAOYSA-N
InChI
InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3

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Names and synonyms

11 names
  • 2-Furanpropanoic acid, tetrahydro-α-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester
  • 2-Furanpropionic acid, tetrahydro-α-(1-naphthylmethyl)-, 2-(diethylamino)ethyl ester
  • 2-(Diethylamino)ethyl tetrahydro-α-(1-naphthylmethyl)-2-furanpropionate ester
  • N-Diethylamino ethyl β-(1-naphthol)-β-(2-tetrahydrofuryl)isobutyrate oxolate salt
  • Nafronyl
  • Naphtidrofuryl
  • LS 84
  • Gevatran
  • Tridus
  • 2-(Diethylamino)ethyl 3-(naphthalen-1-yl)-2-((tetrahydrofuran-2-yl)methyl)propanoate
  • 2-(Diethylamino)ethyl 3-(naphthalen-1-yl)-2-(tetrahydrofuran-2-ylmethyl)propanoate

Work with Naftidrofuryl

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Naftidrofuryl oxalate3200-06-4Salt

Similar compounds

Adiphenine hydrochloride50-42-043 % similar Ethyl 1-naphthylacetate2122-70-535 % similar Dl-3-(1-naphthyl)alanine28095-56-935 % similar L-1-Naphthylalanine55516-54-635 % similar D-1-Naphthylalanine78306-92-035 % similar Benactyzine hydrochloride57-37-433 % similar Ethyl 1-benzylpiperidine-3-carboxylate72551-53-233 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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