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Substance Name: Acetophenone, 3'-methoxy-4'-(4-(3-(o-methoxyphenoxy)-1-pyrrolidinyl)butoxy)-, oxalate (1:1)
RN: 23026-56-4
InChIKey: IYMMECCEMQQENU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O5.C2-H2-O4

Molecular Weight

  • 503.545
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23026-56-4

System Generated Number

  • 0023026564

Molecular Formulas

Molecular Formula

  • C24-H31-N-O5.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H31-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31NO5.C2H2O4/c1-18(26)19-10-11-22(24(16-19)28-3)29-15-7-6-13-25-14-12-20(17-25)30-23-9-5-4-8-21(23)27-2;3-1(4)2(5)6/h4-5,8-11,16,20H,6-7,12-15,17H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

IYMMECCEMQQENU-UHFFFAOYSA-N

Smiles

c1(c(cccc1)OC)O[C@@H]1C[N@@H+](CCCCOc2c(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.