CAS 16401-80-2|Delmetacin

Introduction：Basic information about CAS 16401-80-2|Delmetacin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	Delmetacin
CAS Number	16401-80-2	Molecular Weight	293.31700
Density	1.22g/cm3	Boiling Point	433.2ºC at 760mmHg
Molecular Formula	C₁₈H₁₅NO₃	Melting Point	/
MSDS	/	Flash Point	215.8ºC

Names

Name	2-(1-benzoyl-2-methylindol-3-yl)acetic acid
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.22g/cm3
Boiling Point	433.2ºC at 760mmHg
Molecular Formula	C₁₈H₁₅NO₃
Molecular Weight	293.31700
Flash Point	215.8ºC
Exact Mass	293.10500
PSA	59.30000
LogP	3.26530
Vapour Pressure	2.84E-08mmHg at 25°C
Index of Refraction	1.623
InChIKey	AZCOEIZFVQEQCU-UHFFFAOYSA-N
SMILES	Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccccc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL3350000

CHEMICAL NAME :: Indole-3-acetic acid, 1-benzoyl-2-methyl-

CAS REGISTRY NUMBER :: 16401-80-2

BEILSTEIN REFERENCE NO. :: 0488508

LAST UPDATED :: 199612

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C18-H15-N-O3

MOLECULAR WEIGHT :: 293.34

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 :: 362 mg/kg

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

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: 8,201,1982

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 262 mg/kg

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

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: 8,201,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 820 mg/kg

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

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: 8,201,1982

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 609 mg/kg

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

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: 8,201,1982

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >40 mg/kg

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

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: 8,201,1982

Safety Information

HS Code	2933990090

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%

Synonyms

Delmetacinum [INN-Latin]

(1-benzoyl-2-methyl-indol-3-yl)-acetic acid

Demetacin

Delmetacine [INN-French]

UR 2310

Delmetacin

Delmetacina [Spanish]

(1-benzoyl-2-methyl-1H-indol-3-yl)acetic acid

Delmetacina [INN-Spanish]

Delmetacin [INN]

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