Simetride

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Names

[ CAS No. ]:
154-82-5

[ Name ]:
Simetride

[Synonym ]:
Piperazine,1,4-bis((2-methoxy-4-propylphenoxy)acetyl)
Simetridum [INN-Latin]
1,4-Bis-(2-methoxy-4-propyl-phenoxyacetyl)-piperazin
Kyorin AP 2
Simetride
Simetrida [INN-Spanish]
1,4-Bis((2-methoxy-4-propylphenoxy)acetyl)piperazine
Simetridum
AP 2

Chemical & Physical Properties

[ Density]:
1.147g/cm3

[ Boiling Point ]:
682.6ºC at 760 mmHg

[ Molecular Formula ]:
C28H38N2O6

[ Molecular Weight ]:
498.61100

[ Flash Point ]:
366.6ºC

[ Exact Mass ]:
498.27300

[ PSA ]:
77.54000

[ LogP ]:
3.61320

[ Vapour Pressure ]:
1.73E-18mmHg at 25°C

[ Index of Refraction ]:
1.548

[ Storage condition ]:
-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TK9700000
CHEMICAL NAME :
Piperazine, 1,4-bis((2-methoxy-4-propylphenoxy)acetyl)-
CAS REGISTRY NUMBER :
154-82-5
BEILSTEIN REFERENCE NO. :
0772468
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C28-H38-N2-O6
MOLECULAR WEIGHT :
498.68
WISWESSER LINE NOTATION :
T6N DNTJ AV1OR D3 BO1& DV1OR D3 BO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1025 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,206,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 85,715,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IPAE "Modern Pharmaceuticals of Japan, III," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1968 Volume(issue)/page/year: -,84,1968

Safety Information

[ HS Code ]:
2933599090

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3-Cyclopropoxy-4-methyl-2,3-dihydropyridine-2-carboxamide
  • (3-(Morpholinomethyl)-1,4-thiazepan-4-yl)(o-tolyl)methanone
  • tert-Butyl 2-methyl-4-(quinoxalin-2-yl)piperazine-1-carboxylate
  • (4-(Tert-butyl)phenyl)(3-(morpholinomethyl)-1,4-thiazepan-4-yl)methanone
  • (3,4-Dimethoxyphenyl)(3-(morpholinomethyl)-1,4-thiazepan-4-yl)methanone
  • tert-Butyl 4-(3-(cyclopropylamino)quinoxalin-2-yl)-2-methylpiperazine-1-carboxylate
  • Tert-butyl (s)-2-(5-amino-4-methyl-1-phenyl-1H-pyrazol-3-yl)pyrrolidine-1-carboxylate
  • 4-Methyl-3-(5-methyl-3-isoxazolyl)-1-phenyl-1H-pyrazol-5-amine
  • (4-Chlorophenyl)(3-(morpholinomethyl)-1,4-thiazepan-4-yl)methanone
  • (3-(Morpholinomethyl)-1,4-thiazepan-4-yl)(4-(trifluoromethyl)phenyl)methanone
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