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Substance Name: 4-Morpholinepropanamine, beta-methyl-N-(3-phenyl-5-isoxazolyl)-N-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 103785-31-5
InChIKey: GCLONBXVWVHEJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N3-O2.C6-H8-O7

Molecular Weight

  • 583.6343
 
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Names and Synonyms

Synonym

  • beta-Methyl-N-(3-phenyl-5-isoxazolyl)-N-(phenylmethyl)-4-morpholinepropanamine citrate

Systematic Name

  • 4-Morpholinepropanamine, beta-methyl-N-(3-phenyl-5-isoxazolyl)-N-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 103785-31-5

System Generated Number

  • 0103785315

Molecular Formulas

Molecular Formula

  • C24-H29-N3-O2.C6-H8-O7

Molecular Formula Fragments

  • C24-H29-N3-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29N3O2.C6H8O7/c1-20(17-26-12-14-28-15-13-26)18-27(19-21-8-4-2-5-9-21)24-16-23(25-29-24)22-10-6-3-7-11-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-11,16,20H,12-15,17-19H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

GCLONBXVWVHEJB-UHFFFAOYSA-N

Smiles

CC(CN1CCOCC1)CN(Cc2ccccc2)c3cc(no3)c4ccccc4.C(C(=O)O)C(CC(=O)O)(C(=O)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.