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Substance Name: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(4-morpholinyl)propyl ester, hydrochloride
RN: 134871-16-2
InChIKey: XZACNULFOHMSNJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Br2-N-O4.Cl-H

Molecular Weight

  • 549.6846
 
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Names and Synonyms

Synonym

  • 3-Morpholinopropyl 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxybenzeneacetate hydrochloride

Systematic Name

  • Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(4-morpholinyl)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 134871-16-2

System Generated Number

  • 0134871162

Molecular Formulas

Molecular Formula

  • C21-H23-Br2-N-O4.Cl-H

Molecular Formula Fragments

  • C21-H23-Br2-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23Br2NO4.ClH/c22-18-6-2-16(3-7-18)21(26,17-4-8-19(23)9-5-17)20(25)28-13-1-10-24-11-14-27-15-12-24;/h2-9,26H,1,10-15H2;1H

InChIKey

XZACNULFOHMSNJ-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(c2ccc(cc2)Br)(C(=O)OCCCN3CCOCC3)O)Br.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 210mg/kg (210mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 251, 1991.