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Substance Name: 5-Isoxazolamine, N-(2-methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-N-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 103785-32-6
InChIKey: JKYYERUAOYNUKY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N3-O.C6-H8-O7

Molecular Weight

  • 567.635
 
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Names and Synonyms

Synonym

  • N-(2-Methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-N-(phenylmethyl)-5-isoxazolamine citrate

Systematic Name

  • 5-Isoxazolamine, N-(2-methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-N-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 103785-32-6

System Generated Number

  • 0103785326

Molecular Formulas

Molecular Formula

  • C24-H29-N3-O.C6-H8-O7

Molecular Formula Fragments

  • C24-H29-N3-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29N3O.C6H8O7/c1-20(17-26-14-8-9-15-26)18-27(19-21-10-4-2-5-11-21)24-16-23(25-28-24)22-12-6-3-7-13-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,10-13,16,20H,8-9,14-15,17-19H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

JKYYERUAOYNUKY-UHFFFAOYSA-N

Smiles

N(c1cc(no1)c1ccccc1)(Cc1ccccc1)C[C@@H](C[NH+]1CCCC1)C.C([C@@](CC(=O)[O-])(C(O)=O)O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: REGIDITY Chemical and Pharmaceutical Bulletin. Vol. 34, Pg. 1634, 1986.