CAS 125-84-8|Aminoglutethimide

Introduction：Basic information about CAS 125-84-8|Aminoglutethimide, 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. Articles69
7. Synonyms

Common Name	Aminoglutethimide
CAS Number	125-84-8	Molecular Weight	232.278
Density	1.2±0.1 g/cm3	Boiling Point	457.4±45.0 °C at 760 mmHg
Molecular Formula	C₁₃H₁₆N₂O₂	Melting Point	152-154 °C(lit.)
MSDS	ChineseUSA	Flash Point	230.4±28.7 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	aminoglutethimide
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	457.4±45.0 °C at 760 mmHg
Melting Point	152-154 °C(lit.)
Molecular Formula	C₁₃H₁₆N₂O₂
Molecular Weight	232.278
Flash Point	230.4±28.7 °C
Exact Mass	232.121185
PSA	72.19000
LogP	1.41
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.566
InChIKey	ROBVIMPUHSLWNV-UHFFFAOYSA-N
SMILES	CCC1(c2ccc(N)cc2)CCC(=O)NC1=O
Water Solubility	H2O: 0.2 mg/mL, slightly soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MA4026950

CHEMICAL NAME :: Glutarimide, 2-(p-aminophenyl)-2-ethyl-

CAS REGISTRY NUMBER :: 125-84-8

BEILSTEIN REFERENCE NO. :: 0210656

LAST UPDATED :: 199612

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C13-H16-N2-O2

MOLECULAR WEIGHT :: 232.31

WISWESSER LINE NOTATION :: T6VMVTJ D2 DR DZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 20500 mg/kg/94W-I

TOXIC EFFECTS :: Blood - agranulocytosis

REFERENCE :: BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 291,970,1985

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 21 mg/kg/3D-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature increase

REFERENCE :: AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 105,633,1986

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 625 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,736,1975 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 3630 mg/kg

SEX/DURATION :: female 1-35 week(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - urogenital system

REFERENCE :: AJDCAI American Journal of Diseases of Children. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1-80(3), 1911-50; V.100- 1960- Volume(issue)/page/year: 124,421,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5423 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 403 (estimated) No. of Female Employees: 179 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
RIDADR	3249
WGK Germany	3
RTECS	MA4026950
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2925190090

Customs

HS Code	2925190090
Summary	2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles69

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...

Synonyms

Orimeten

UNII:0O54ZQ14I9

3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione (3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione

Cytadren

(RS)-Aminoglutethimide

2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-

MFCD00010122

EINECS 204-756-4

(±)-Aminoglutethimide

(±)-p-Aminoglutethimide

2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-, (+)-

aminoglutethimide

DL-Aminoglutethimide

3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione

p-Aminoglutethimide

3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione

3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione 3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione

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