42779-87-3

42779-87-3 structure

42779-87-3 structure

Name: 2-[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Chemical Name: 2-[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
CAS Number: 42779-87-3
Molecular Formula: C₁₅H₁₆ClNO₂
Molecular Weight: 277.74600
Create Date: 2017-05-01 20:02:41
Modify Date: 2023-01-17 10:27:12

Name	2-[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid

Molecular Formula	C₁₅H₁₆ClNO₂
Molecular Weight	277.74600
Exact Mass	277.08700
PSA	42.23000
LogP	3.68300

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9277140

CHEMICAL NAME :: 1H-Pyrrole-3-acetic acid, 1-(3-chloro-2-methylphenyl)-2,5-dimethyl-

CAS REGISTRY NUMBER :: 42779-87-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H16-Cl-N-O2

MOLECULAR WEIGHT :: 277.77

WISWESSER LINE NOTATION :: T5NJ AR B1 CG& B1 C1VQ E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1700 mg/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 11,173,1976