1096688-06-0

Basic information

• Product Name: 2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid
• Synonyms: 2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid
• CAS NO: 1096688-06-0
• Molecular Formula: C₁₈H₂₀O₄
• Molecular Weight: 300.349
• Mol File: 1096688-06-0.mol

Chemical Properties

• Boiling Point: 469.6±28.0 °C(Predicted)
• Appearance: /
• Density: 1.30±0.1 g/cm3(Predicted)
• PKA: 3.36±0.36(Predicted)
• CAS DataBase Reference: 2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid(1096688-06-0)
• EPA Substance Registry System: 2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid(1096688-06-0)

Safety Data

• Hazardous Substances Data: 1096688-06-0(Hazardous Substances Data)

Usage

Molecular Class

Benzoic acids
Aromatic organic compounds containing a carboxyl group (-COOH) bonded directly to an aromatic ring (a six-membered ring with alternating single and double bonds).

Chemical Structure

Benzoic acid core with a carbon-carbon double bond
The core structure is a benzene ring with a carboxyl group attached, and a carbon-carbon double bond (C=C) is present within the molecule.

Attached Group

Octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl
A complex group consisting of eight hydrogen atoms, a 1H-4,7-Methanoinden-5-yl core, and an oxycarbonyl group (-COO-).

Stereochemistry

3aS, 4S, 5R, 7S, 7aS
The spatial arrangement of the atoms in the molecule, with specific configurations at the 3a, 4, 5, 7, and 7a positions.

Common Uses

Medicinal and pharmaceutical applications
The compound is used in the development of drugs and treatments due to its potential therapeutic properties.

Biological Activities

Anti-inflammatory, analgesic, or other activities
The compound may exhibit various biological effects, such as reducing inflammation, relieving pain, or other beneficial actions.

Context-dependent effects

Uses and effects depend on the specific context and formulation
The precise applications and effects of the compound may vary depending on the conditions in which it is used and the form it takes (e.g., as a pure substance, in combination with other compounds, or as part of a drug formulation).

Upstream product

• 85-44-9 phthalic anhydride 
• 1096688-05-9 (3aS,4S,5R,7R,7aS)-octahydro-1H-4,7-methanoinden-5-ol 

Relevant articles and documents

STEREOISOMERS OF TRICYCLODECAN-9-YL-XANTHOGENATE

Provided herein are optically active stereoisomers of tricylclodecan-9-yl xanthogenate, processes of preparation, and pharmaceutical compositions thereof. Also provided are methods of their use for treating, preventing, or ameliorating one or more symptoms of a disease caused by a virus.