2-[5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-2-oxo-3,3-d iphenyl-indol-1-yl]acetic acid

Modify Date: 2025-12-01 23:09:27

2-[5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-2-oxo-3,3-d iphenyl-indol-1-yl]acetic acid structure	Common Name	2-[5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-2-oxo-3,3-d iphenyl-indol-1-yl]acetic acid
	CAS Number	100549-95-9	Molecular Weight	572.61000
	Density	1.44g/cm3	Boiling Point	N/A
	Molecular Formula	C₃₄H₂₈N₄O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-oxo-3,3-diphenylindol-1-yl]acetic acid

Density	1.44g/cm3
Molecular Formula	C₃₄H₂₈N₄O₅
Molecular Weight	572.61000
Exact Mass	572.20600
PSA	113.64000
LogP	4.64030
Index of Refraction	1.739
InChIKey	DKVQEGQLWLVCEJ-UHFFFAOYSA-N
SMILES	Cc1c(NC(=O)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)C(=O)N3CC(=O)O)c(=O)n(-c2ccccc2)n1C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL3524620

CHEMICAL NAME :: 1H-Indol-1-acetic acid, 2,3-dihydro-3,3-diphenyl-2-oxo-5-(((2,3-dihydro-1,5-d imethyl-3- oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)-

CAS REGISTRY NUMBER :: 100549-95-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C34-H28-N4-O5

MOLECULAR WEIGHT :: 572.66

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 gm/kg

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

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,843,1985

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