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Substance Name: Simetride [INN:JAN]
RN: 154-82-5
UNII: QU6P2P8XLW
InChIKey: IMOLVSPMDGCLMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-N2-O6

Molecular Weight

  • 498.616
 
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Names and Synonyms

Name of Substance

  • Simetride
  • Simetride [INN:JAN]

Synonyms

  • 1,4-Bis((2-methoxy-4-propylphenoxy)acetyl)piperazine
  • 5-23-01-00074 (Beilstein Handbook Reference)
  • AP 2
  • BRN 0772468
  • Kyorin AP 2
  • Piperazine, 1,4-bis((2-methoxy-4-propylphenoxy)acetyl)-
  • Simetrida
  • Simetrida [INN-Spanish]
  • Simetride
  • Simetridum
  • Simetridum [INN-Latin]
  • UNII-QU6P2P8XLW

Systematic Names

  • 1,4-Bis((2-methoxy-4-propylphenoxy)acetyl)piperazine
  • Piperazine, 1,4-bis((2-methoxy-4-propylphenoxy)acetyl)-

Registry Numbers

CAS Registry Number

  • 154-82-5

FDA UNII

  • QU6P2P8XLW

System Generated Number

  • 0000154825

Structure Descriptors

InChI

1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3

InChIKey

IMOLVSPMDGCLMB-UHFFFAOYSA-N

Smiles

c1cc(c(OC)cc1CCC)OCC(N1CCN(CC1)C(=O)COc1c(cc(cc1)CCC)OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12gm/kg (12000mg/kg)   "Modern Pharmaceuticals of Japan, III," Tokyo, Japan Pharmaceutical, Medical and Dental Suppl Exporters' Assoc., 1968Vol. -, Pg. 84, 1968.
mouse LD50 oral > 15gm/kg (15000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.
rat LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 85, Pg. 715, 1965.
rat LD50 oral > 1025mg/kg (1025mg/kg)   Drugs in Japan Vol. 6, Pg. 206, 1982.