chempirical

Paliperidone palmitate

C39H57FN4O4CAS 199739-10-1664.91 g/mol

Open in Covalent MOL file
OONNNNOFO
Aryl halideEsterTertiary amine

Properties

Molecular formula
C39H57FN4O4
Molar mass
664.91 g/mol
Exact mass
664.4364 Da
logP
9.11Crippen estimate
Polar surface area
90.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
19

Identifiers

CAS number
199739-10-1
SMILES
CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O
InChIKey
VOMKSBFLAZZBOW-UHFFFAOYSA-N
InChI
InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Hexadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester
  • 9-Hydroxyrisperidone palmitate
  • RO 92670
  • Invega sustenna
  • Xeplion
  • Trevicta

Work with Paliperidone palmitate

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

Paliperidone144598-75-468 % similar Risperidone106266-06-264 % similar Iloperidone133454-47-439 % similar 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole84163-77-933 % similar 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride84163-13-332 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook