This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- 13-cis-12-(3'-Carboxyphenyl)retinoic acid
- DrugBank Accession Number
- DB14097
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for 13-cis-12-(3'-Carboxyphenyl)retinoic acid (DB14097)
- Weight
- Average: 420.549
Monoisotopic: 420.23005951 - Chemical Formula
- C27H32O4
- Synonyms
- Not Available
- External IDs
- BMS-181162
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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.Not Available
- Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Antiscar 13-cis-12-(3'-Carboxyphenyl)retinoic acid (2 g/100g) + Allantoin (2 g/100g) + Epigallocatechin gallate (.3 g/100g) + Onion (.5 g/100g) + Petrolatum (3 g/100g) Patch Topical Basiem 2015-04-01 2015-04-20 US 
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Y8U3B6ZM8D
- CAS number
- 141948-79-0
- InChI Key
- XKKDQOHDTASHCE-PAZAWXFKSA-N
- InChI
- InChI=1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16-,23-13-
- IUPAC Name
- 3-[(1Z,5E,7E)-1-carboxy-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-3-yl]benzoic acid
- SMILES
- [H]\C(=C(\[H])C1=C(C)CCCC1(C)C)\C(\C)=C(/[H])C([H])=C(\C(C)=C(\[H])C(O)=O)C1=CC(=CC=C1)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 4943196
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Patch Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000946 mg/mL ALOGPS logP 6.34 ALOGPS logP 6.19 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 3.74 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 7 Chemaxon Refractivity 129.42 m3·mol-1 Chemaxon Polarizability 47.45 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at June 18, 2018 18:47 / Updated at June 12, 2020 16:53