CAS 56219-57-9 Arildone (HCID 41782)

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Basic information

CAS: 56219-57-9
Standard SMILES: CCC(=O)C(CCCCCCOc1ccc(OC)cc1Cl)C(=O)CC
InChIKey: DIXRMZGIJNJUGL-UHFFFAOYSA-N
Molecular formula: C20H29ClO4
Average molar mass: 368.9 g/mol
Monoisotopic mass: 368.17543709

Overview

Arildone is a member of methoxybenzenes.

Names & identifiers

Preferred name: Arildone
IUPAC: 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]heptane-3,5-dione
English name: arildone
Molecular formula: C20H29ClO4
Molecular weight: 368.89

Names & synonyms

ARILDONE56219-57-9Win 38020Win-38020NSC-22280069MBN7JF593,5-Heptanedione, 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-4-(6-(2-Chloro-4-methoxyphenoxy)hexyl)-3,5-heptanedione4-[6-(2-Chloro-4-methoxyphenoxy)hexyl]-3,5-heptanedioneDTXSID302047714-(6-(2-Chloro-4-methoxy)phenoxy)hexyl-3,5-heptanedioneRefChem:114017

Show more names

3,5-Heptanedione, 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-

DTXCID60127262260-066-3Arildona4-[6-(2-Chloro-4-methoxyphenoxy)hexyl]heptane-3,5-dioneArildone (USAN)ARILDONE [USAN]ArildonumArildone [USAN:INN]

Database identifiers

CAS: 56219-57-9
PubChem CID: 41782
DTXSID: DTXSID30204771
ChEMBL: CHEMBL26319
ChEBI: CHEBI:177546
UNII: 69MBN7JF59
EC Number: 260-066-3

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 13
Heavy atoms: 25
Formal charge: 0
Complexity: 383

Physicochemical properties

FDA UNII: 69 MBN7JF59 · 69MBN7JF59

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.