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Substance Name: Benzamide, 3-bromo-5-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-hydroxy-2-methoxy-, tartrate, hydrate (2:2:1)
RN: 98527-06-1
InChIKey: OOARQPDKIIDZEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-Br-N2-O3.C4-H6-O6.1/2H2-O

Molecular Weight

  • 535.385
 
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Names and Synonyms

  • Benzamide, 3-bromo-5-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-hydroxy-2-methoxy-, tartrate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 98527-06-1

System Generated Number

  • 0098527061

Molecular Formulas

Molecular Formula

  • C17-H25-Br-N2-O3.C4-H6-O6.1/2H2-O

Molecular Formula Fragments

  • C17-H25-Br-N2-O3
  • C4-H6-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H25BrN2O3.C4H6O6/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2;5-1(3(7)8)2(6)4(9)10/h9,12,21H,4-8,10H2,1-3H3,(H,19,22);1-2,5-6H,(H,7,8)(H,9,10)

InChIKey

OOARQPDKIIDZEH-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1O)CC)Br)OC)C(NC[C@@H]1[N@@](CCC1)CC)=O.C([C@@H]([C@@H](C(O)=O)O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 174mg/kg (174mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 61, 1986.