Oxycinchophen

HCID 10239CAS 485-89-2

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Basic information

Standard SMILES: O=C(O)c1c(O)c(-c2ccccc2)nc2ccccc12
InChIKey: XAPRFLSJBSXESP-UHFFFAOYSA-N
Molecular formula: C16H11NO3
Average molar mass: 265.26 g/mol
Monoisotopic mass: 265.07389321

Names & identifiers

Preferred name: Oxycinchophen
IUPAC: 3-hydroxy-2-phenylquinoline-4-carboxylic acid
English name: oxycinchophen
Molecular formula: C16H11NO3
Molecular weight: 265.26

Names & synonyms

Oxycinchophen485-89-2FenidroneChinoxoneOxinofenHydroxycinchopheneoxicinchophenMagnofenylMagnophenylReumartrilSintofene3-Hydroxycinchophen

Show more names

Vitamin A Impurity 14

OxicinchophenumOxicincofenoOxycinchophene3-Hydroxy-2-phenylcinchoninic acidOxycinchopenOxycinchophenum3-Hydroxy-2-phenyl-4-quinolinecarboxylic acidOxycinchophen [INN:BAN]

Database identifiers

CAS: 485-89-2
PubChem CID: 10239
DTXSID: DTXSID0057750
ChEMBL: CHEMBL219376
ChEBI: CHEBI:135094
UNII: UK6392GD5W
EC Number: 207-624-4
Nikkaji: J10.586D

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 70.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 354

Physicochemical properties

Melting point: 206.5 °C · 206.5°C (rough estimate)
Boiling point: 408.48 °C · 408.48°C (rough estimate)
Density: 1.1861 · 1.1861 (rough estimate)
refractive index: 1.53 · 1.5300 (estimate)
storage temp.: 2 · 2-8°C
pka: 0.55 · 0.55±0.10(Predicted)
color: Minute, deep yellow prisms from alc
FDA UNII: 6392 GD5W · UK6392GD5W
ATC code: 1 CA03 · M01CA03
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Toxicity: 50 orl-dog: · LD50 orl-dog: >5 mg/kg PEMNDP 9,643,91

Safety & regulation

Safety data

Toxicity: LD50 orl-dog: >5 mg/kg PEMNDP 9,643,91
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesOxicinchophen has bene used to study P-selectin antagonistic activity, DHOD inhibitory activity, SAR of quinoline salicylic acids using Pfitzinger reaction of isatin derivatives with (acetyloxy)acetophenone derivatives; effect of antiinflammatory drugs on vascular smooth muscle; increase in oxygen consumption in the absence of a phosphate acceptor and to inhibit ATP synthesis in the isolated rat liver mitochondria.