Sertraline

Modify Date: 2024-01-02 13:11:42

Sertraline Structure
Sertraline structure
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 N/A 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
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

 Synthetic Route

 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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