신코펜

Cinchophen

HCID 8593CAS 132-60-5

기본 정보

표준 SMILES
O=C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIKey
YTRMTPPVNRALON-UHFFFAOYSA-N
분자식
C16H11NO2
평균 분자량
249.26 g/mol
단동위원소 질량
249.07897859

이름 및 식별자

우선 이름
Cinchophen
IUPAC
2-phenylquinoline-4-carboxylic acid
현지명
신코펜
영어명
CINCHOPHEN
분자식
C16H11NO2
분자량
249.26

이름 및 동의어

Cinchophen132-60-52-Phenylquinoline-4-carboxylic acid2-Phenyl-4-quinolinecarboxylic acid2-Phenylcinchoninic acidAgotanAtophanCinchophenePhenoquinQuinophanQuinophenCinconal
이름 더 보기
신코펜artamatigoaatofantophol
QuinofenTervalonMylofanolRhematanTophosanAlutylAtocinRheumin

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.4
극성 표면적
50.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
19

실험 및 물리화학적 성질

OdorODORLESS
TasteSLIGHTLY BITTER TASTE
Color/Form · 3건

NEEDLES FROM METHANOL OR DILUTED ALCOHOL

WHITE OR YELLOWISH CRYSTALS OR POWDER

SMALL, WHITE, NEEDLE-LIKE CRYSTALS

Solubility · 3건

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 · 1건

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)

물리화학적 성질

녹는점
214 · 214-215 °C (lit.)
끓는 점
392.37 °C · 392.37°C (rough estimate)
밀도
1.1426 · 1.1426 (rough estimate)
굴절률
1.53 · 1.5300 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
120 ml · 알코올: 120ml(lit.)에 1g 용해

화학적 성질

BEIGE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

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

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 · 5건

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.

안전 데이터

wgk
3
rtecs
GD4025000
ridadr
3249
독성
LD50 oral in dog: 1250mg/kg
HS 번호
29334990
risk_code
22

화학 및 산업

약리 정보

ATC Code · 2건

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 · 2건

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/

용도 및 제조

UsesMEDICATION
Methods of Manufacturing · 1건

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

응용 분야

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

상·하류 제품 정보

공급사50 곳

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]

관련 반응

19건

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