1-Methyl-5-p-toluoylpyrrole-2-acetic acid

Suppliers

Names

[ Name ]:
1-Methyl-5-p-toluoylpyrrole-2-acetic acid

[Synonym ]:
[3H]-Tolmetin
[1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid
EINECS 247-497-2
Tolmetino
1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-
Tolmetine
Tolmetina
TOLMETIN
Tolmetinum
2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
Tolectin
5-(p-toluoyl)-1-methylpyrrole-2-acetic acid
5-(4-methylbenzoyl)-1-methyl-pyrrol-2-ylacetic acid
1-Methyl-5-p-toluoylpyrrole-2-acetic acid
Tolmetine [INN-French]
2-(1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetic acid
1-methyl-5-(4-methylbenzoyl)pyrrol-2-acetic acid
1-Methyl-5-(p-toluoyl)-2-pyrroleacetic acid
Tolmetina [DCIT]
1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid
1-METHYL-5-P-TOLUOYL-PYRROLE-2-ACETIC ACID

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
483.2±40.0 °C at 760 mmHg

[ Melting Point ]:
156ºC

[ Molecular Formula ]:
C₁₅H₁₅NO₃

[ Molecular Weight ]:
257.284

[ Flash Point ]:
246.0±27.3 °C

[ Exact Mass ]:
257.105194

[ PSA ]:
59.30000

[ LogP ]:
1.55

[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C

[ Index of Refraction ]:
1.582

[ Water Solubility ]:
222 mg/L

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9287000

CHEMICAL NAME :: Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl-

CAS REGISTRY NUMBER :: 26171-23-3

BEILSTEIN REFERENCE NO. :: 0485305

LAST UPDATED :: 199612

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C15-H15-N-O3

MOLECULAR WEIGHT :: 257.31

WISWESSER LINE NOTATION :: T5NJ A1 BVR D1& E1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 293 mg/kg

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1526,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Rectal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 744 mg/kg

TOXIC EFFECTS :: Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation

REFERENCE :: AFTOD7 Archivos de Farmacologia y Toxicologia. (Universidad Complutense, Facultad de Medicina, Departamento Coordinado de Farmacologia, Ciudad Universitaria, Madrid 3, Spain) V.1- 1975- Volume(issue)/page/year: 5,257,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 914 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 38,90,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 38,90,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 680 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 8,45,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1107 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 19,460,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJMRAQ Indian Journal of Medical Research. (Indian Council of Medical Research, Ansari Nagar, New Delhi 110 029, India) V.1- 1913- Volume(issue)/page/year: 81,621,1985 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg/4D-I

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 52,454,1980

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1680 mg/kg/8W-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Liver - other changes Nutritional and Gross Metabolic - changes in metals, not otherwise specified

REFERENCE :: TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: (Suppl),245,1992 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 20600 ug/kg

SEX/DURATION :: female 21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

REFERENCE :: TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 30(1),25A,1984

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetonitrile
methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
1-Methylpyrrole
1-Methylpyrrole-2-acetic acid
2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetic acid
tolmetin sodium
1-metil-5-p-metilbenzoil-1H-pirrolo-2-carbossialdeide
[1-methyl-5-(2-methylsulfanyl-2-methylsulfinyl-ethenyl)pyrrol-2-yl]-(4-methylphenyl)methanone
(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone

DownStream

(1,5-dimethylpyrrol-2-yl)-(4-methylphenyl)methanone
2-[3-bromo-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

1-Methyl-5-p-toluoylpyrrole-2-acetic acid guaiacyl ester
Tolmetin-d3
4-chloro-1-methyl-5-(p-methylsulfinylbenzoyl)-pyrrole-2-acetic acid
1-metil-5-p-metilbenzoil-1H-pirrolo-2-carbossialdeide
()-1-methyl-5-oxopyrrolidine-2-acetic acid
1-methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid
3-(ethylsulfonyl)-N-(6-sulfamoylbenzo[d]thiazol-2-yl)benzamide
N-(4-(4-bromophenyl)thiazol-2-yl)-3-(ethylsulfonyl)benzamide
3-(ethylsulfonyl)-N-(4-(naphthalen-1-yl)thiazol-2-yl)benzamide
3-(ethylsulfonyl)-N-(4-(naphthalen-2-yl)thiazol-2-yl)benzamide
N-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(ethylsulfonyl)benzamide
N-[2-(1H-1,3-benzodiazol-2-yl)phenyl]-3-(ethanesulfonyl)benzamide
2-(3-(Ethylsulfonyl)benzamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
3-(ethylsulfonyl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)benzamide
N-(4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)-3-(ethylsulfonyl)benzamide
N-(2-(benzo[d]thiazol-2-yl)phenyl)-3-(ethylsulfonyl)benzamide

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