(11α)-16,16-Difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid

C₂₀H₃₂F₂O₅CAS 136790-76-6390.47 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Carboxylic acid Ketone

Properties

Molecular formula: C₂₀H₃₂F₂O₅
Molar mass: 390.47 g/mol
Exact mass: 390.2218 Da
logP: 4.15Crippen estimate
Polar surface area: 91.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 14
Stereocentres: 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

136790-76-6

SMILES

CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

InChIKey

DBVFKLAGQHYVGQ-BFYDXBDKSA-N

InChI

InChI=1S/C20H32F2O5/c1-2-3-12-20(21,22)18(25)11-10-15-14(16(23)13-17(15)24)8-6-4-5-7-9-19(26)27/h14-15,17,24H,2-13H2,1H3,(H,26,27)/t14-,15-,17-/m1/s1

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

Names and synonyms

3 names

Prostan-1-oic acid, 16,16-difluoro-11-hydroxy-9,15-dioxo-, (11α)-
RU 0211
Lubiprostone

Work with (11α)-16,16-Difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid

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 E1745-65-352 % similar Dioxystearinsaeure120-87-648 % similar 12-Hydroxystearic acid106-14-943 % similar 12-Hydroxystearic acid36377-33-043 % similar Prostaglandin E2363-24-642 % similar Pentadecylic acid1002-84-238 % similar Enanthic acid111-14-838 % similar Pelargonic acid112-05-038 % similar

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

Same formula

Amitiza333963-40-9

Elsewhere

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