chempirical

Oxolamine citrate

C20H27N3O8CAS 1949-20-8437.45 g/mol

Open in Covalent MOL file
NNNOOHOHOOOHOHO
AlcoholCarboxylic acidTertiary amine

Properties

Molecular formula
C20H27N3O8
Molar mass
437.45 g/mol
Exact mass
437.1798 Da
Melting point
141–142 °C
logP
1.37Crippen estimate
Polar surface area
174.3 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
11

Identifiers

CAS number
1949-20-8
SMILES
CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
RBZIGQJSMCOHSS-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,2,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • 1,2,4-Oxadiazole, 5-[2-(diethylamino)ethyl]-3-phenyl-, citrate (1:1)
  • AF 438
  • Bredon
  • 5-(Diethylaminoethyl)-3-phenyl-1,2,4-oxadiazole citrate
  • Oxarmin
  • Perebron
  • 3-Phenyl-5-(diethylaminoethyl)-1,2,4-oxadiazole citrate
  • Prilon
  • Broncatar
  • SKF 9976
  • Flogobron
  • NSC 100298

Work with Oxolamine citrate

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

Oxolamine959-14-864 % similar Alverine citrate5560-59-859 % similar Clostilbegit50-41-950 % similar Carbetapentane citrate23142-01-047 % similar Fentanyl citrate990-73-845 % similar Diphenhydramine citrate88637-37-044 % similar Orphenadrine citrate4682-36-441 % similar Phenyltoloxamine citrate1176-08-541 % similar

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

Elsewhere

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