CAS 79617-96-2|Sertraline

Introduction：Basic information about CAS 79617-96-2|Sertraline, 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. Synonyms

Common Name	Sertraline
CAS Number	79617-96-2	Molecular Weight	306.230
Density	1.3±0.1 g/cm3	Boiling Point	416.3±45.0 °C at 760 mmHg
Molecular Formula	C₁₇H₁₇Cl₂N	Melting Point	188-190 °C(lit.)
MSDS	/	Flash Point	205.6±28.7 °C

Names

Name	sertraline
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	416.3±45.0 °C at 760 mmHg
Melting Point	188-190 °C(lit.)
Molecular Formula	C₁₇H₁₇Cl₂N
Molecular Weight	306.230
Flash Point	205.6±28.7 °C
Exact Mass	305.073792
PSA	12.03000
LogP	4.81
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.621
InChIKey	VGKDLMBJGBXTGI-SJCJKPOMSA-N
SMILES	CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QJ0400000

CHEMICAL NAME :: 1-Naphthalenamine, 1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis)-

CAS REGISTRY NUMBER :: 79617-96-2

LAST UPDATED :: 199712

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C17-H17-Cl2-N

MOLECULAR WEIGHT :: 306.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 63 mg/kg/10W-I

TOXIC EFFECTS :: Blood - tumors

REFERENCE :: AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 153,443,1996

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 70 mg/kg/7W-I

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 153,732,1996

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 28 mg/kg/4W-I

TOXIC EFFECTS :: Blood - agranulocytosis

REFERENCE :: PGMJAO Postgraduate Medical Journal. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.1- 1925- Volume(issue)/page/year: 72,446,1996

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 10500 ug/kg/3W-I

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Endocrine - antidiuresis Nutritional and Gross Metabolic - other changes

REFERENCE :: AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 123,811,1995

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 5714 ug/kg/9D-I

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement

REFERENCE :: JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press, Inc., POB 240008, Memphis, TN 38124) V.39- 1978- Volume(issue)/page/year: 55,316,1994

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 3571 mg/kg/5D-I

TOXIC EFFECTS :: Endocrine - antidiuresis Nutritional and Gross Metabolic - other changes

REFERENCE :: AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 152,809,1995

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 6 mg/kg/4D-I

TOXIC EFFECTS :: Behavioral - hallucinations, distorted perceptions Endocrine - antidiuresis Nutritional and Gross Metabolic - other changes

REFERENCE :: AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 152,809,1995

Safety Information

Hazard Codes	Xi
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
WGK Germany	3

Synonyms

Zoloft

Sertralina

(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine

(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S,4S)-4-(3,4-dichlorophényl)-N-méthyl-1,2,3,4-tétrahydronaphtalén-1-amine

Sertraline

1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1S,4S)-

Tert-butyl5,6-dihydropyridine-1(2H)-carboxylate

Apo-Sertraline

MFCD00865372

(+)-Sertraline

Sertralinum

Lustral

(1S,4S)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine

(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthylamine

(1S,4S)-4-(3,4-Dichlorphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amin

(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthaleneamine

(1S-cis)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine

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