chempirical

Fentanyl citrate

C28H36N2O8CAS 990-73-8528.60 g/mol

Open in Covalent MOL file
ONNOHOHOOOHOHO
AlcoholAmideCarboxylic acidTertiary amine

Properties

Molecular formula
C28H36N2O8
Molar mass
528.60 g/mol
Exact mass
528.2472 Da
Melting point
149–151 °C
logP
2.89Crippen estimate
Polar surface area
155.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
11

Identifiers

CAS number
990-73-8
SMILES
CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
IVLVTNPOHDFFCJ-UHFFFAOYSA-N
InChI
InChI=1S/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;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

22 names · show all
  • Propanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Propionanilide, N-(1-phenethyl-4-piperidyl)-, citrate (1:1)
  • McN-JR 4263-49
  • N-(1-Phenethyl-4-piperidinyl)propionanilide dihydrogen citrate
  • N-(1-Phenethyl-4-piperidyl)propionanilide citrate
  • Phentanyl citrate
  • Sublimaze
  • Leptanal
  • R 5240
  • McN-JR 4263
  • Fentaz
  • Duragesic
  • Actiq
  • Leptanol
  • Pentanyl
  • Oralet
  • Oravescent
  • Fentanil citrate
  • NasalFent
  • Onsolis
  • Fentos tape
  • Instanyl

Work with Fentanyl 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

Alverine citrate5560-59-856 % similar Oxolamine citrate1949-20-845 % similar Diphenhydramine citrate88637-37-043 % similar Phenyltoloxamine citrate1176-08-542 % similar Clostilbegit50-41-942 % similar Tamoxifen citrate54965-24-142 % similar Orphenadrine citrate4682-36-441 % similar Citric acid77-92-939 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook