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Cetilistat

C25H39NO3CAS 282526-98-1401.59 g/mol

Open in Covalent MOL file
ONOO
Ether

Properties

Molecular formula
C25H39NO3
Molar mass
401.59 g/mol
Exact mass
401.2930 Da
logP
7.36Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
16

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
282526-98-1
SMILES
CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1
InChIKey
MVCQKIKWYUURMU-UHFFFAOYSA-N
InChI
InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3

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Names and synonyms

5 names
  • 4H-3,1-Benzoxazin-4-one, 2-(hexadecyloxy)-6-methyl-
  • 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one
  • ATL 962
  • Cetalstat
  • 2-Hexadecoxy-6-methyl-3,1-benzoxazin-4-one

Work with Cetilistat

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

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

Elsewhere

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