NAV

Cloprostenol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Cloprostenol
DrugBank Accession Number
DB11507
Background

Not Available

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 424.92
Monoisotopic: 424.1652664
Chemical Formula
C22H29ClO6
Synonyms
  • Cloprostenol
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
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AbciximabThe therapeutic efficacy of Abciximab can be decreased when used in combination with Cloprostenol.
AceclofenacThe therapeutic efficacy of Cloprostenol can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Cloprostenol can be decreased when used in combination with Acemetacin.
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be decreased when used in combination with Cloprostenol.
AcetaminophenThe metabolism of Cloprostenol can be increased when combined with Acetaminophen.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Cloprostenol sodium886SAV967555028-72-3IFEJLMHZNQJGQU-KXXGZHCCSA-M

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Eicosanoids
Direct Parent
Prostaglandins and related compounds
Alternative Parents
Long-chain fatty acids / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Hydroxy fatty acids / Halogenated fatty acids / Chlorobenzenes / Unsaturated fatty acids / Aryl chlorides / Cyclopentanols
show 7 more
Substituents
Alcohol / Alkyl aryl ether / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Benzenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Chlorobenzene
show 21 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4208238832
CAS number
54276-21-0
InChI Key
VJGGHXVGBSZVMZ-QIZQQNKQSA-N
InChI
InChI=1S/C22H29ClO6/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)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
IUPAC Name
(5Z)-7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILES
[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

References

General References
  1. Dodwell SC: Cloprostenol and pregnancy termination. Vet Rec. 1979 Jan 27;104(4):83-4. [Article]
  2. Boyd PA: Cloprostenol and pregnancy termination. Vet Rec. 1979 Jan 27;104(4):84. [Article]
  3. Drummond JN: Cloprostenol and pregnancy termination. Vet Rec. 1979 Jan 6;104(1):21. [Article]
  4. Johnson CT: Cloprostenol and pregnancy termination. Vet Rec. 1979 Feb 17;104(7):151. [Article]
  5. Bowler J, Brown ED, Crossley NS, Heaton DW, Lilley TJ, Rose N: Double bond isomers of cloprostenol. Prostaglandins. 1979 Jun;17(6):789-800. [Article]
  6. Harker DB: Letter: Cloprostenol in controlled bleeding. Vet Rec. 1975 Nov 29;97(22):437-8. [Article]
  7. Perera BM, Bongso TA, Abeynaike P: Oestrus synchronisation in goats using cloprostenol. Vet Rec. 1978 Apr 8;102(14):314. [Article]
  8. Day AM, Southwell SR: Termination of pregnancy in goats using cloprostenol. N Z Vet J. 1979 Oct;27(10):207-8. [Article]
  9. Rao AR, Rao SV: Treatment of suboestrus in buffaloes with cloprostenol. Vet Rec. 1979 Aug 25;105(8):168-9. [Article]
  10. Barr DA: Cloprostenol for treatment of silent heat. N Z Vet J. 1977 Dec;25(12):402. [Article]
ChemSpider
4470590
BindingDB
50085910
RxNav
2606
ChEMBL
CHEMBL37853
ZINC
ZINC000004536236
Wikipedia
Cloprostenol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection
Solution
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0337 mg/mLALOGPS
logP3.69ALOGPS
logP2.65Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)4.36Chemaxon
pKa (Strongest Basic)-2.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area107.22 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity112.75 m3·mol-1Chemaxon
Polarizability44.49 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0059200000-5dd06cff61c55ead4607
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0922400000-fda656604c8d0cceaef0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000j-2189100000-1f05a3ee194ceae7f4f5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-2956400000-91e1ee249549c4ee9488
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-7953100000-bc6f0140cc12749766ee
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q0-5893000000-4918844a5cfd02d112d0
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-199.82735
predicted
DeepCCS 1.0 (2019)
[M+H]+201.48053
predicted
DeepCCS 1.0 (2019)
[M+Na]+207.63737
predicted
DeepCCS 1.0 (2019)

Drug created at February 26, 2016 17:27 / Updated at February 21, 2021 18:53