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Substance Name: Acetophenone, 3'-methoxy-4'-(3-(3-(o-methoxyphenoxy)-1-pyrrolidinyl)propoxy)-, oxalate (1:1)
RN: 23026-55-3
InChIKey: RJOYUHVESYQTLQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O5.C2-H2-O4

Molecular Weight

  • 489.518
 
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Names and Synonyms

Synonym

  • 3'-Methoxy-4'-(3-(3-(o-methoxyphenoxy)-1-pyrrolidinyl)propoxy)-acetophenone oxalate (1:1)

Systematic Name

  • Acetophenone, 3'-methoxy-4'-(3-(3-(o-methoxyphenoxy)-1-pyrrolidinyl)propoxy)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 23026-55-3

System Generated Number

  • 0023026553

Molecular Formulas

Molecular Formula

  • C23-H29-N-O5.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H29-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO5.C2H2O4/c1-17(25)18-9-10-21(23(15-18)27-3)28-14-6-12-24-13-11-19(16-24)29-22-8-5-4-7-20(22)26-2;3-1(4)2(5)6/h4-5,7-10,15,19H,6,11-14,16H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

RJOYUHVESYQTLQ-UHFFFAOYSA-N

Smiles

c1(c(cccc1)OC)O[C@@H]1C[N@@H+](CCCOc2c(cc(C(C)=O)cc2)OC)CC1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 12, Pg. 442, 1969.