This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Transcrocetinate
- DrugBank Accession Number
- DB05974
- Background
Vitamin A-analog that increases diffusivity of oxygen in aqueous solutions, including plasma.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Transcrocetinate (DB05974)
- Weight
- Average: 328.408
Monoisotopic: 328.167459253 - Chemical Formula
- C20H24O4
- Synonyms
- 8,8'-diapo-8,8'-carotenedioic acid
- 8,8'-diapo-ψ,ψ-carotenedioic acid
- 8,8'-diapocarotenedioic acid
- Crocetin
- trans-crocetin
Pharmacology
- Indication
Investigated for use/treatment in cancer/tumors (unspecified), hemorrhage, hypoxia, respiratory failure, and strokes.
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Not Available
- Mechanism of action
Trans sodium crocetinate is a novel drug, which has been shown to increase whole-body oxygen consumption during hemorrhagic shock. It works by increasing the diffusion rate of oxygen through plasma rather than on a specific symptom of hemorrhagic shock and has been suggested as a general treatment for hypoxemia. Thus it could also be beneficial for treating respiratory insufficiencies.
- 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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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.
Drug Interaction Integrate drug-drug
interactions in your softwareArticaine The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Cinchocaine. Cocaine The risk or severity of methemoglobinemia can be increased when Transcrocetinate is combined with Cocaine. 
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- Not Available
Products
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Ingredient UNII CAS InChI Key Transcrocetinate sodium YP57637WMX 591230-99-8 RMDMBHQVNHQDDD-VFWKRBOSSA-L
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 20TC155L9C
- CAS number
- 27876-94-4
- InChI Key
- PANKHBYNKQNAHN-MQQNZMFNSA-N
- InChI
- InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
- IUPAC Name
- (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
- SMILES
- C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O
References
- General References
- Giassi LJ, Poynter AK, Gainer JL: Trans sodium crocetinate for hemorrhagic shock: effect of time delay in initiating therapy. Shock. 2002 Dec;18(6):585-8. [Article]
- Gainer JL, Stennett AK, Murray RJ: The effect of trans sodium crocetinate (TSC) in a rat oleic acid model of acute lung injury. Pulm Pharmacol Ther. 2005;18(3):213-6. Epub 2005 Jan 22. [Article]
- External Links
- KEGG Compound
- C08588
- ChemSpider
- 4444644
- BindingDB
- 50269617
- ChEBI
- 3918
- ChEMBL
- CHEMBL464792
- ZINC
- ZINC000004097701
- Wikipedia
- Crocetin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Glioblastoma Multiforme (GBM) 1 2 Terminated Treatment Interstitial Lung Disease 1 2 Terminated Treatment Stroke, Acute 1 1 Completed Basic Science Healthy Subjects (HS) 1 1 Completed Treatment Healthy Volunteers With Induced Hypoxia 1 1 Terminated Basic Science High Grade Glioma (HGG) 1 1, 2 Completed Treatment Coronavirus Disease 2019 (COVID‑19) 1 1, 2 Completed Treatment GBM / Glioblastoma Multiforme (GBM) / Glioma 1 1, 2 Completed Treatment Intermittent Claudication 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00558 mg/mL ALOGPS logP 4.54 ALOGPS logP 4.4 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 4.41 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 74.6 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 103.8 m3·mol-1 Chemaxon Polarizability 38.07 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at November 18, 2007 18:29 / Updated at June 12, 2020 16:52