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Lubiprostone hemiketal

CAT: 0931-T88362-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88362-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
333963-40-9
Target
Chloride channel
Related Pathways
Membrane transporter/Ion channel
Bioactivity
Lubiprostone (hemiketal) (RU-0211 (hemiketal) ), a selective activator of the chloride channel 2 (CLCN2), facilitates the treatment of chronic idiopathic constipation and opioid-induced constipation. It functions by enhancing CLCN2 channel activity, which boosts chloride ion secretion in the intestines, subsequently increasing fluid secretion and improving intestinal peristalsis. Additionally, Lubiprostone (hemiketal) may be utilized in research related to chronic constipation and cancer.
Smiles
C(CCCC)(F)(F)[C@]1(O)O[C@]2([C@](CC1)([C@@H](CCCCCCC(O)=O)C(=O)C2)[H])[H]
Molecular Formula
C20H32F2O5
Molecular Weight
390.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lubiprostone

Lubiprostone is a medication used in the management of idiopathic chronic constipation. A prostaglandin E1 derivative, lubiprostone is a bicyclic fatty acid that activates ClC-2 chloride channels located on the apical side of the gastrointestinal epithelial cells. Activation of these channels promotes the secretion of a chloride-rich fluid that soften the stool, increase gastrointestinal motility, and induce spontaneous bowel movements (SBM).

CAS Number333963-40-9
PubChem CID157920
IUPAC Name7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid
Molecular FormulaC20H32F2O5
Molecular Weight390.5
XLogP4
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity525
SMILES
CCCCC([C@]1(CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)O)(F)F
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
InChIKey
WGFOBBZOWHGYQH-MXHNKVEKSA-N
Chemical Structure
2D Structure
2D structure of Lubiprostone
CAS: 333963-40-9
CID: 157920
Formula: C20H32F2O5
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass390.22178044
Monoisotopic Mass390.22178044
Topological Polar Surface Area83.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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