chempirical

Amitiza

C20H32F2O5CAS 333963-40-9390.47 g/mol

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AlcoholAlkyl halideCarboxylic acidEtherKetone

Properties

Molecular formula
C20H32F2O5
Molar mass
390.47 g/mol
Exact mass
390.2218 Da
logP
4.31Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
11
Stereocentres
R, R, R, Rin SMILES atom order

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
333963-40-9
SMILES
CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1
InChIKey
WGFOBBZOWHGYQH-MXHNKVEKSA-N
InChI
InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15-,17-,20-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • Prostan-1-oic acid, 11,15-epoxy-16,16-difluoro-15-hydroxy-9-oxo-, (11α,15R)-
  • (11α,15R)-11,15-Epoxy-16,16-difluoro-15-hydroxy-9-oxoprostan-1-oic acid
  • Cyclopenta[b]pyran-5-heptanoic acid, 2-(1,1-difluoropentyl)octahydro-2-hydroxy-6-oxo-, (2R,4aR,5R,7aR)-
  • RU 0211
  • Lubiprostone
  • SPI 0211
  • 7-[(1R,3R,6R,7R)-3-(1,1-Difluoropentyl)-3-hydroxy-8-oxo-2-oxabicyclo[4.3.0]non-7-yl]heptanoic acid
  • Bicyclic lubiprostone
  • Lubiprostone hemiketal
  • 7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentan-1-yl)-2-hydroxy-6-oxooctahydroxypenta[b]pyran-5-yl]heptanoic acid

Work with Amitiza

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

Prostaglandin E1745-65-345 % similar 12-Hydroxystearic acid106-14-940 % similar Dioxystearinsaeure120-87-640 % similar 12-Hydroxystearic acid36377-33-040 % similar Pentadecylic acid1002-84-238 % similar Enanthic acid111-14-838 % similar Pelargonic acid112-05-038 % similar Undecylic acid112-37-838 % similar

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

Same formula

(11α)-16,16-Difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid136790-76-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook