Cloprostenol sodiumProduct ingredient for Cloprostenol
- Name
- Cloprostenol sodium
- Drug Entry
- Cloprostenol
- Accession Number
- DBSALT001672
- Structure
Structure for Cloprostenol sodium (DBSALT001672)
- Synonyms
- Not Available
- UNII
- 886SAV9675
- CAS Number
- 55028-72-3
- Weight
- Average: 446.9
Monoisotopic: 446.1472106 - Chemical Formula
- C22H28ClNaO6
- InChI Key
- IFEJLMHZNQJGQU-KXXGZHCCSA-M
- InChI
- InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1
- IUPAC Name
- sodium (5Z)-7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl]hept-5-enoate
- SMILES
- [Na+].[H]\C(CCCC([O-])=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)COC1=CC=CC(Cl)=C1
- External Links
- ChemSpider
- 5254710
- ChEMBL
- CHEMBL1520583
- Predicted Properties
Property Value Source Water Solubility 0.0352 mg/mL ALOGPS logP 3.21 ALOGPS logP 2.65 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 4.36 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 110.05 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 123.59 m3·mol-1 Chemaxon Polarizability 44.05 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon