chempirical

Naftidrofuryl oxalate

C26H35NO7CAS 3200-06-4473.57 g/mol

Open in Covalent MOL file
NOOOOHOOOH
Carboxylic acidEsterEtherTertiary amine

Properties

Molecular formula
C26H35NO7
Molar mass
473.57 g/mol
Exact mass
473.2414 Da
Melting point
110–111 °C
logP
3.61Crippen estimate
Polar surface area
113.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
10

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
3200-06-4
SMILES
CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.O=C(O)C(=O)O
InChIKey
SSAJNPNVUYMUCI-UHFFFAOYSA-N
InChI
InChI=1S/C24H33NO3.C2H2O4/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;3-1(4)2(5)6/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3;(H,3,4)(H,5,6)

Weigh it out

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

Names and synonyms

14 names · show all
  • 2-Furanpropanoic acid, tetrahydro-α-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1)
  • 2-Furanpropionic acid, tetrahydro-α-(1-naphthylmethyl)-, 2-(diethylamino)ethyl ester oxalate (1:1)
  • Nafronyl oxalate
  • Praxilene
  • LS 121
  • Dusodril
  • Dubimax
  • EU 1806
  • Iridus
  • Naphtidrofuryl oxalate
  • Di-actane
  • Citoxid
  • Nafronyl acid oxalate
  • NSC 225233

Work with Naftidrofuryl oxalate

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.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid Naftidrofuryl31329-57-4Free base Iron(II) oxalate516-03-0Salt Copper oxalate814-91-5Salt Ferric ammonium oxalate14221-47-7Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Ammonium oxalate1113-38-8Salt

Similar compounds

Adiphenine hydrochloride50-42-040 % similar Dl-3-(1-naphthyl)alanine28095-56-934 % similar L-1-Naphthylalanine55516-54-634 % similar D-1-Naphthylalanine78306-92-034 % similar Ethyl 1-naphthylacetate2122-70-533 % similar Benactyzine hydrochloride57-37-432 % similar (βR)-β-Amino-1-naphthalenebutanoic acid269398-88-132 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid138774-93-331 % similar

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

Same formula

Alverine citrate5560-59-8

Elsewhere

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