chempirical

Orphenadrine citrate

C24H31NO8CAS 4682-36-4461.51 g/mol

Open in Covalent MOL file
ONOHOHOOOHOHO
AlcoholCarboxylic acidEtherTertiary amine

Properties

Molecular formula
C24H31NO8
Molar mass
461.51 g/mol
Exact mass
461.2050 Da
Melting point
137 °C
logP
2.41Crippen estimate
Polar surface area
144.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
11

Identifiers

CAS number
4682-36-4
SMILES
Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
MMMNTDFSPSQXJP-UHFFFAOYSA-N
InChI
InChI=1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;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

8 names
  • Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Ethylamine, N,N-dimethyl-2-[(o-methyl-α-phenylbenzyl)oxy]-, citrate (1:1)
  • Norflex (pharmaceutical)
  • Plenactol
  • Norflex
  • X-Otag
  • Banflex
  • 2-Hydroxypropane-1,2,3-tricarboxylic acid; dimethyl([2-[(2-methylphenyl)(phenyl)methoxy]ethyl])amine

Work with Orphenadrine 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

Diphenhydramine citrate88637-37-085 % similar Orphenadrine hydrochloride341-69-561 % similar Phenyltoloxamine citrate1176-08-554 % similar Tamoxifen citrate54965-24-150 % similar Diphenhydramine58-73-149 % similar Toremifene citrate89778-27-848 % similar Diphenhydramine hydrochloride147-24-046 % similar Alverine citrate5560-59-845 % similar

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

Elsewhere

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