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Substance Name: 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-(2-benzoylethyl)-3-pyrrolidinyl)-, oxalate (1:1)
RN: 23150-87-0
InChIKey: TWMLWKLBZZPGCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O3.C2-H2-O4

Molecular Weight

  • 440.45
 
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Names and Synonyms

Synonym

  • 4-(1-(2-Benzoylethyl)-3-pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one oxalate (1:1)

Systematic Name

  • 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-(2-benzoylethyl)-3-pyrrolidinyl)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 23150-87-0

System Generated Number

  • 0023150870

Molecular Formulas

Molecular Formula

  • C21-H22-N2-O3.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H22-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N2O3.C2H2O4/c24-19(16-6-2-1-3-7-16)11-13-22-12-10-17(14-22)23-18-8-4-5-9-20(18)26-15-21(23)25;3-1(4)2(5)6/h1-9,17H,10-15H2;(H,3,4)(H,5,6)

InChIKey

TWMLWKLBZZPGCJ-UHFFFAOYSA-N

Smiles

N1(c2c(OCC1=O)cccc2)[C@@H]1C[N@@H+](CCC(c2ccccc2)=O)CC1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 583, 1969.