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Substance Name: Bulgarketone
RN: 1248-42-6
UNII: HE1ZA4ZBEX
InChIKey: ZRFIFDFEDPJBII-UHFFFAOYSA-N

Molecular Formula

  • C22-H25-N-O4.Cl-H

Molecular Weight

  • 403.903
 
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Names and Synonyms

Results Name

  • Bulgarketone

Name of Substance

  • Pitofenone hydrochloride

Synonyms

  • Baralginketone
  • Bulgarketone
  • EINECS 214-999-8
  • o-(p-(2-Piperidinoethoxy)benzoyl)benzoic acid methyl ester hydrochloride
  • UNII-HE1ZA4ZBEX

Systematic Names

  • Benzoic acid, 2-(4-(2-(1-piperidinyl)ethoxy)benzoyl)-, methyl ester, hydrochloride (9CI)
  • Benzoic acid, o-(p-(2-piperidinoethoxy)benzoyl)-, methyl ester, hydrochloride
  • Methyl 2-(4-(2-piperidinoethoxy)benzoyl)benzoate hydrochloride

Registry Numbers

CAS Registry Number

  • 1248-42-6

FDA UNII

  • HE1ZA4ZBEX

System Generated Number

  • 0001248426

Molecular Formulas

Molecular Formula

  • C22-H25-N-O4.Cl-H

Molecular Formula Fragments

  • C22-H25-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H

InChIKey

ZRFIFDFEDPJBII-UHFFFAOYSA-N

Smiles

C(=O)(c1c(cccc1)C(OC)=O)c1ccc(OCCN2CCCCC2)cc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Trudove na Nauchnoizsledovatelskiya Khimiko-Farmatsevtichen Institut. Transactions of the Scientific Research Chemico-Pharmaceutical Institute. Vol. 15, Pg. 211, 1985.
mouse LD50 oral 690mg/kg (690mg/kg)   Trudove na Nauchnoizsledovatelskiya Khimiko-Farmatsevtichen Institut. Transactions of the Scientific Research Chemico-Pharmaceutical Institute. Vol. 15, Pg. 211, 1985.
rat LD50 intraperitoneal 125mg/kg (125mg/kg)   Trudove na Nauchnoizsledovatelskiya Khimiko-Farmatsevtichen Institut. Transactions of the Scientific Research Chemico-Pharmaceutical Institute. Vol. 15, Pg. 211, 1985.
rat LD50 oral 3600mg/kg (3600mg/kg)   Trudove na Nauchnoizsledovatelskiya Khimiko-Farmatsevtichen Institut. Transactions of the Scientific Research Chemico-Pharmaceutical Institute. Vol. 15, Pg. 211, 1985.