COBIPROSTONE

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Synonyms
Status
Molecule Category Free-form
UNII IL870Q3Z8I
EPA CompTox DTXSID80187025

Structure

InChI Key SDDSJMXGJNWMJY-BRHAQHMBSA-N
Smiles CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1
InChI
InChI=1S/C21H34F2O5/c1-3-14(2)13-20(22,23)21(27)11-10-16-15(17(24)12-18(16)28-21)8-6-4-5-7-9-19(25)26/h14-16,18,27H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16+,18+,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H34F2O5
Molecular Weight 404.49
AlogP 4.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 83.83
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Chloride channel protein 2 activator ACTIVATOR PubMed Other

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2103799
DrugBank DB05514
FDA SRS IL870Q3Z8I
PubChem 16757521
SureChEMBL SCHEMBL352534
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