Treloxinate
Basic information
- CAS
30910-27-1- Standard SMILES
COC(=O)C1Oc2ccc(Cl)cc2Cc2cc(Cl)ccc2O1- InChIKey
BORQIQWYKSNHKN-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2O4
- Average molar mass
- 339.2 g/mol
- Monoisotopic mass
- 338.0112642
Overview
Treloxinate is an organochlorine compound.
Names & identifiers
- Preferred name
- Treloxinate
- IUPAC
- methyl 3,7-dichloro-5H-benzo[d][1,3]benzodioxocine-11-carboxylate
- English name
- Treloxinate
- Molecular formula
- C16H12Cl2O4
- Molecular weight
- 339.17
Names & synonyms
TRELOXINATE30910-27-1TreloxinatoTreloxinatum7YA71JCD50NSC-162487DTXSID90184909Methyl 2,10-dichloro-12H-dibenzo(d,g)(1,3)dioxocin-6-carboxylate2,10-Dichloro-12H-dibenzo(d,g)(1,3)dioxocin-6-carboxylic acid, methyl esterMethyl 2,10-dichloro-12H-dibenzo[d,g][1,3]dioxocin-6-carboxylateRefChem:933300DTXCID80107400
Show more names
2,10-Dichloro-12H-dibenzo[d,g][1,3]dioxocin-6-carboxylic acid methyl ester12H-Dibenzo[d,g][1,3]dioxocin-6-carboxylic acid, 2,10-dichloro-, methyl ester
methyl 3,7-dichloro-5H-benzo[d][1,3]benzodioxocine-11-carboxylateTreloxinate [USAN:INN]Treloxinatum [INN-Latin]Treloxinato [INN-Spanish]UNII-7YA71JCD50NSC 16248712H-Dibenzo(d,g)(1,3)dioxocin-6-carboxylic acid, 2,10-dichloro-, methyl esterTRELOXINATE [INN]
Database identifiers
- CAS
30910-27-1- PubChem CID
- 35678
- DTXSID
DTXSID90184909- ChEMBL
CHEMBL2106496- ChEBI
CHEBI:177507- UNII
- 7YA71JCD50
- Nikkaji
- J20.517F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 498.3 · 498.3±45.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- FDA UNII
- 7 YA71JCD50 · 7YA71JCD50
Chemistry & industry
Applications
UsesTreloxinate is an effective hypolipidemic agent. Treloxinate affects only triglyceride levels in Sprague-Dawley rats, but affects both triglyceride and cholesterol levels in Wistar rats[1].
Additional notes
DefinitionChEBI: Treloxinate is an organochlorine compound.
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Compound notes
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