CAS 77-15-6|ethoheptazine

Introduction：Basic information about CAS 77-15-6|ethoheptazine, 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. Synonyms

Common Name	ethoheptazine
CAS Number	77-15-6	Molecular Weight	261.35900
Density	1.037 g/cm3	Boiling Point	346.4ºC at 760 mmHg
Molecular Formula	C₁₆H₂₃NO₂	Melting Point	/
MSDS	/	Flash Point	114.4ºC

Names

Name	ethyl 1-methyl-4-phenylazepane-4-carboxylate
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.037 g/cm3
Boiling Point	346.4ºC at 760 mmHg
Molecular Formula	C₁₆H₂₃NO₂
Molecular Weight	261.35900
Flash Point	114.4ºC
Exact Mass	261.17300
PSA	29.54000
LogP	2.54110
Index of Refraction	1.514
InChIKey	WGJHHMKQBWSQIY-UHFFFAOYSA-N
SMILES	CCOC(=O)C1(c2ccccc2)CCCN(C)CC1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CM2800000

CHEMICAL NAME :: Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester

CAS REGISTRY NUMBER :: 77-15-6

BEILSTEIN REFERENCE NO. :: 0088192

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C16-H23-N-O2

MOLECULAR WEIGHT :: 261.40

WISWESSER LINE NOTATION :: T7NTJ A1 DVO2 DR

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 :: 355 mg/kg

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

REFERENCE :: 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 34 mg/kg

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

REFERENCE :: 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969

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

ROUTE OF EXPOSURE :: Implant

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 277 mg/kg

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

REFERENCE :: 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 318 mg/kg

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

REFERENCE :: 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 65 mg/kg

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

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 134,154,1961

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

ROUTE OF EXPOSURE :: Implant

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 167 mg/kg

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

REFERENCE :: 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969

Synonyms

1-Methyl-4-phenyl-hexahydro-azepin-4-carbonsaeure-aethylester

ETHOHEPTAZINE

Etoheptazina [INN-Spanish]

Zactane

Ethoheptazinum [INN-Latin]

(+-)-1-methyl-4-phenyl-hexahydro-azepine-4-carboxylic acid ethyl ester

Aethoheptazin

Ethoheptazine [BAN]

Ethyl heptazine

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