Paroxetine structure, CAS 61869-08-7

Paroxetine

CAS Number61869-08-7

SynonymsParoxetine; trans-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine; (-)-trans-4-(p-Fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]piperidine; BRL 29060A; (3S-trans)-3-[(1,3-Benzodioxol-5-yl-oxy)methyl]-4-(4-fluorophenyl)piperidine; PAROXETIN HCL; (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine; aropax; PAROXETIENE BASE; (-)-Paroxetine; FG 7051; MFCD00869588; Paroxetine (USP); AROPAX 20; PARORETINE HCL; Paxil

Molecular FormulaC19H20O3N1F1

Molecular Weight329.37

Purity98%

Density1.2±0.1 g/cm3

Boiling Point451.7±45.0 °C at 760 mmHg

Melting Point114-116°C

Flash Point

AppearanceWhite to off-white powder

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9011882 Purity: 98%
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Quality Control of [ 61869-08-7 ] Purity: 98% SDS Specification MoL

Chemical & Physical Properties
CAS Number61869-08-7
Catalog No.2A-9011882
Chinese Name帕罗西汀
SynonymsParoxetine; trans-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine; (-)-trans-4-(p-Fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]piperidine; BRL 29060A; (3S-trans)-3-[(1,3-Benzodioxol-5-yl-oxy)methyl]-4-(4-fluorophenyl)piperidine; PAROXETIN HCL; (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine; aropax; PAROXETIENE BASE; (-)-Paroxetine; FG 7051; MFCD00869588; Paroxetine (USP); AROPAX 20; PARORETINE HCL; Paxil
Molecular FormulaC19H20O3N1F1
Molecular Weight329.37
Purity98
Density1.2±0.1 g/cm3
Boiling Point451.7±45.0 °C at 760 mmHg
Melting Point114-116°C
AppearanceWhite to off-white powder
Storage Condition2-8℃, protected from light, inert gas
PackagingIII
ApplicationParoxetine is a phenylpiperidine derivative and a potent selective serotonin reuptake inhibitor (SSRI). Paroxetine is a very weak inhibitor of norepinephrine (NE) uptake, but it is still more potent t
HTC2934999090
MDL NumberMFCD00869588
SMILESFc1ccc(C2CCNCC2COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
InChI KeyAHOUBRCZNHFOSL-YOEHRIQHSA-N
Hazard Symbols6.1(b)
MSDSmsds/11882_1_61869_08_7.pdf
Use ofParoxetine, a phenylpiperidine derivative, is a potent and selective serotonin reuptake inhibitor (SSRI). Paroxetine is a very weak inhibitor of norepinephrine (NE) uptake but it is still more potent at this site than the other SSRIs[1]. Properties Name paroxetine Synonym More Synonyms Paroxetine Biological Activity Description Paroxetine, a phenylpiperidine derivative, is a potent and selective serotonin reuptake inhibitor (SSRI). Paroxetine is a very weak inhibitor of norepinephrine (NE) uptake but it is still more potent at this site than the other SSRIs[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Research Areas >> Neurological Disease Signaling Pathways >> Neuronal Signaling >> Serotonin Transporter References [1]. M Bourin, et al. Paroxetine: a review. CNS Drug Rev. Spring 2001;7(1):25-47 Chemical & Physical Properties Molecular Formula C19H20FNO3 Exact Mass 329.142731 PSA 39.72000 Index of Refraction 1.561 InChIKey AHOUBRCZNHFOSL-YOEHRIQHSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl )-, trans-(-)- CAS REGISTRY NUMBER : 61869-08-7 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C19-H20-F-N-O3 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Peripheral Nerve and Sensation - paresthesis REFERENCE : JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press, Inc., POB 240008, Memphis, TN 38124) V.39- 1978- Volume(issue)/page/year: 58,175,1997 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : 1400 ug/kg/7W-I TOXIC EFFECTS : 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: 153,134,1996 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : 4200 ug/kg/3W-I TOXIC EFFECTS : Endocrine - hyperglycemia REFERENCE : AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 125,782,1996 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - man DOSE/DURATION : 6700 ug/kg TOXIC EFFECTS : Behavioral - excitement REFERENCE : AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 11,682,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : 2800 ug/kg/7D-I TOXIC EFFECTS : Kidney, Ureter, Bladder - other changes in urine composition Nutritional and Gross Metabolic - changes in sodium REFERENCE : MJAUAJ Medical Journal of Australia. (Australasian Medical Pub. Co. Ltd., 71-79 Arundel St., Glebe, N.S.W., Australia) V.1- 1914- Volume(issue)/page/year: 163,390,1995 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 1-22 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 1-22 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) REFERENCE : TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : male 9 week(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females) REFERENCE : TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 2 week(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : Safety Information Hazard Codes Xi RIDADR 3249 Packaging Group III Hazard Class 6.1(b) HS Code 2934999090 Synthetic Route (3S,4R)-1-benzy... 105813-14-7 Paroxetine 61869-08-7 Literature: Bower, John F.; Riis-Johannessen, Thomas; Szeto, Peter; Whitehead, Andrew J.; Gallagher, Timothy Chemical Communications, 2007 , # 7 p. 728 - 730 phenyl (3S,4R)-... 253768-88-6 Paroxetine 61869-08-7 (4R,5S)-5-((ben... 754183-64-7 Paroxetine 61869-08-7 Literature: Kim, Mi-Hyun; Park, Yohan; Jeong, Byeong-Seon; Park, Hyeung-Geun; Jew, Sang-Sup Organic Letters, 2010 , vol. 12, # 12 p. 2826 - 2829 Precursor & DownStream Precursor 8 CAS#:105813-14-7 (3S,4R)-1-benzy... CAS#:253768-88-6 phenyl (3S,4R)-... CAS#:754183-64-7 (4R,5S)-5-((ben... CAS#:533-31-3 DownStream 1 CAS#:110429-35-1 Paroxetine hydr...
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