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Substance Name: 5-Isoxazolamine, 3-phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-, (E)-2-butenedioate (1:1)
RN: 103785-34-8
InChIKey: XDRDGTJVMUMTOM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N3-O.C4-H4-O4

Molecular Weight

  • 491.585
 
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Names and Synonyms

Synonym

  • 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate

Systematic Name

  • 5-Isoxazolamine, 3-phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 103785-34-8

System Generated Number

  • 0103785348

Molecular Formulas

Molecular Formula

  • C24-H29-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C24-H29-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29N3O.C4H4O4/c1-20(26-15-8-9-16-26)14-17-27(19-21-10-4-2-5-11-21)24-18-23(25-28-24)22-12-6-3-7-13-22;5-3(6)1-2-4(7)8/h2-7,10-13,18,20H,8-9,14-17,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

XDRDGTJVMUMTOM-WLHGVMLRSA-N

Smiles

c1(N(Cc2ccccc2)CC[C@@H]([NH+]2CCCC2)C)cc(no1)c1ccccc1.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: REGIDITY Chemical and Pharmaceutical Bulletin. Vol. 34, Pg. 1634, 1986.