Sertraline

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Names

[ CAS No. ]:
79617-96-2

[ Name ]:
Sertraline

[Synonym ]:
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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine
  • Sertraline hydrochloride
  • 4(S)-(3,4-dichlorophenyl)-3,4-dihydro-N-methyl-1(2H)-naphthalenimine
  • methylhydroxylammonium chloride
  • 4-(3,4-Dichlorophenyl)tetralone
  • (S)-N-(2-(1-(3,4-dichlorophenyl)-3-iodopropyl)benzylidene)methanamine

DownStream

  • Sertraline hydrochloride

Related Compounds

  • Norsertraline
  • NorSertraline
  • Sertraline.HCl
  • cis-sertraline
  • (R,R)-Sertraline
  • sertraline citrate
  • 3-(4H-1,2,4-triazol-3-yl)propanoic acid
  • 3-(1-methyl-1H-1,2,4-triazol-3-yl)propanoic acid
  • 1H-1,2,4-Triazole-5-propanoic acid, ethyl ester
  • 1,1-Dimethylethyl (2R,5S)-2-(methoxymethyl)-5-[(phenylmethoxy)methyl]-1-pyrrolidinecarboxylate
  • N-(3-Hydroxy-2-methylpropyl)urea
  • N-t-BOC-cis-4-Fluoro-L-beta-Homoproline
  • 1-Benzyloxy-4-bromo-2-cyclopentyl-benzene
  • 1-(Ethyl(phenyl)amino)propane-1,3-diol
  • 1-[4-(Benzyloxy)phenyl]-2-[(4-phenylbutan-2-YL)amino]propan-1-one
  • Diethyl 2-((benzyloxy)methyl)malonate
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