Cinchophen

HCID 8593CAS 132-60-5

Basic information

Standard SMILES
O=C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIKey
YTRMTPPVNRALON-UHFFFAOYSA-N
Molecular formula
C16H11NO2
Average molar mass
249.26 g/mol
Monoisotopic mass
249.07897859

Names & identifiers

Preferred name
Cinchophen
IUPAC
2-phenylquinoline-4-carboxylic acid
English name
CINCHOPHEN
Molecular formula
C16H11NO2
Molecular weight
249.26

Names & synonyms

Cinchophen132-60-52-Phenylquinoline-4-carboxylic acid2-Phenyl-4-quinolinecarboxylic acid2-Phenylcinchoninic acidAgotanAtophanCinchophenePhenoquinQuinophanQuinophenCinconal
Show more names
artamatigoaatofantophol
QuinofenTervalonMylofanolRhematanTophosanAlutylAtocinRheumin

Database identifiers

CAS
132-60-5
PubChem CID
8593
DTXSID
DTXSID0040705
ChEMBL
CHEMBL348000
ChEBI
CHEBI:114195
UNII
39Y533Z02M
EC Number
205-067-1
Nikkaji
J5.573E

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19

Experimental & physicochemical properties

OdorODORLESS
TasteSLIGHTLY BITTER TASTE
Color/Form · 3 items

NEEDLES FROM METHANOL OR DILUTED ALCOHOL

WHITE OR YELLOWISH CRYSTALS OR POWDER

SMALL, WHITE, NEEDLE-LIKE CRYSTALS

Solubility · 3 items

RAPIDLY LOSES WATER OF CRYSTALLIZATION ON EXPOSURE TO AIR; SOL IN WATER, ALC; PRACTICALLY INSOL IN ETHER /LITHIUM SALT OCTAHYDRATE/

SOLUBLE IN HOT ALCOHOL, ALKALI; SLIGHTLY SOL IN HOT ACETONE, HOT BENZENE; INSOLUBLE IN PETROLEUM ETHER, WATER

1 G DISSOLVES IN ABOUT: 400 ML CHLOROFORM, 100 ML ETHER, 120 ML ALCOHOL

Melting Point218 °C
Refractive Index · 1 item

INDEX OF REFRACTION IN ORTHORHOMBIC SYSTEM: 1.545 (ALPHA), 1.575 (BETA), EXCEEDS 1.734 (GAMMA); INDEX OF REFRACTION IN TRICLINIC SYSTEM: 1.545 (ALPHA), 1.590 (BETA), 1.630 (GAMMA); INDEX OF REFRACTION IN TRICLINIC SYSTEM: 1.545 (ALPHA), 1.590 (BETA), 1.630 (GAMMA)

Physicochemical properties

Melting point
214 · 214-215 °C (lit.)
Boiling point
392.37 °C · 392.37°C (rough estimate)
Density
1.1426 · 1.1426 (rough estimate)
refractive index
1.53 · 1.5300 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
1 g · alcohol: soluble1g in 120ml(lit.)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxicology

InteractionsIN DOGS, CINCHOPHEN HAD NO EFFECT ON IOPANOIC ACID EXCRETIO BUT INCR BOTH BILIARY & URINARY EXCRETION OF IOPHENOXIC ACID.
Drug Induced Liver Injury · 6 items

Drug Induced Liver Injury Rank (DILIrank 2.0)

Cinchophen

vMost-DILI-concern

8

Withdrawn

DOI:10.1016/j.drudis.2016.02.015

Non-Human Toxicity Excerpts · 5 items

DOSES OF 1 G/KG BY MOUTH ARE LETHAL TO RABBITS... LETHAL DOSE RANGE OF CINCHOPHEN FOR FROGS, MICE, RATS & GUINEA PIGS BY VARIETY OF ROUTES LIES BETWEEN 0.5 & 1.0 G/KG. DEATH APPEARS TO RESULT FROM RESPIRATORY PARALYSIS.

INDUCTION OF UDP-GLUCURONYL TRANSFERASE ACTIVITY IN RAT EXTRAHEPATIC TISSUES HAS BEEN REPORTED FOLLOWING CINCHOPHEN...ADMIN...

CINCHOPHEN, 3-HYDROXYCINCHOPHEN, 6-HYDROXYCINCHOPHEN, 7-HYDROXYCINCHOPHEN, & 8-HYDROXYCINCHOPHEN INHIBITED RAT LIVER GLUTAMATE-PYRUVATE TRANSAMINASE MORE THAN GLUTAMATE-OXALACETATE TRANSAMINASE.

IV ADMIN OF CINCHOPHEN CAUSED ULCERATIVE ENTEROCOLITIS IN DOGS. ULCERS WERE CLOSELY ASSOCIATED WITH PEYER'S PATCHES. GRANULOMATA WERE OCCASIONALLY SEEN IN MUCOSA & ADJACENT MESENTERIC NODES ALSO.

For more Non-Human Toxicity Excerpts (Complete) data for CINCHOPHEN (6 total), please visit the HSDB record page.

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
GD4025000
ridadr
3249
hs_code
29334990
Toxicity
LD50 oral in dog: 1250mg/kg

Chemistry & industry

Pharmacology

ATC Code · 2 items

M - Musculo-skeletal system;M04 - Antigout preparations;M04A - Antigout preparations;M04AC - Preparations with no effect on uric acid metabolism;M04AC02 - Cinchophen

QM - Musculo-skeletal system;QM04 - Antigout preparations;QM04A - Antigout preparations;QM04AC - Preparations with no effect on uric acid metabolism;QM04AC02 - Cinchophen

Biological Half-LifeIN BLOOD OF HUMANS HALF LIFE AFTER DOSAGE OF CINCHOPHEN WAS 4-4.5 HR.
Metabolism/Metabolites · 2 items

2% 2-O-OXYPHENYLQUINOLINE-4-CARBOXYLIC ACID WAS EXCRETED IN URINE FROM HUMANS AFTER DOSAGE WITH CINCHOPHEN. /FROM TABLE/

YIELDS 8-HYDROXY-2-PHENYLQUINOLINE-4-CARBOXYLIC ACID & 2-(P-HYDROXYPHENYL)QUINOLINE-4-CARBOXYLIC ACID IN DOG: HARTIALA, K, TERHO, T & HAKKINEN, I; BIOCHEM PHARMAC, 16, 843 (1967). /FROM TABLE/

Uses & manufacturing

UsesMEDICATION
Methods of Manufacturing · 1 item

PREPARED BY HEATING PYRUVIC ACID WITH ANILINE & BENZALDEHYDE OR WITH BENZYLIDENE ANILINE IN ABSOLUTE ALCOHOL: DOEBNER, GIESEKE, ANN 242, 290 (1887). ALSO FROM ACETOPHENONE & ISATINIC ACID IN ALCOHOLIC KOH: PFITZINGER, J PRAKT CHEM 38, 582 (1882); 56, 293 (1897).

Formulations/PreparationsIN COMBINATIONS WITH SODIUM SALICYLATE AS ATOPHANYL; ARTHROSAN; CINCOSAL. HYDROCHLORIDE, C16H12CLNO2, CHLOROXYL. ... LITHIUM SALT OCTAHYDRATE, C16H10LINO2, EKTOPHANOL.
Use ClassificationPharmaceuticals

Applications

Usesanalgesic, antipyretic, antiinflammatory

UsesCinchophen and its derivatives can show antipyretic, analgesic, anti-oxidative, and anti-inflammatory properties.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Additional notes

DefinitionChEBI: 2-phenyl-4-quinolinecarboxylic acid is a member of quinolines.

Related reactions

19 records

Linked notes

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