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Substance Name: 1-Piperidinepropanamine, beta-methyl-N-(3-phenyl-5-isoxazolyl)-N-(phenylmethyl)-, (E)-2-butenedioate (1:1)
RN: 103785-33-7
InChIKey: VINUGLIQLPYFTF-ZPYUXNTASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N3-O.C4-H4-O4

Molecular Weight

  • 505.6115
 
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Names and Synonyms

Synonym

  • beta-Methyl-N-(3-phenyl-5-isoxazolyl)-N-(phenylmethyl)-1-piperidinepropanamine fumarate

Systematic Name

  • 1-Piperidinepropanamine, beta-methyl-N-(3-phenyl-5-isoxazolyl)-N-(phenylmethyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 103785-33-7

System Generated Number

  • 0103785337

Molecular Formulas

Molecular Formula

  • C25-H31-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C25-H31-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29N3O.C5H6O4/c1-4-11-21(12-5-1)20-27(18-10-17-26-15-8-3-9-16-26)24-19-23(25-28-24)22-13-6-2-7-14-22;1-3(5(8)9)2-4(6)7/h1-2,4-7,11-14,19H,3,8-10,15-18,20H2;2H,1H3,(H,6,7)(H,8,9)/b;3-2+

InChIKey

VINUGLIQLPYFTF-ZPYUXNTASA-N

Smiles

C/C(=C\C(=O)O)/C(=O)O.c1ccc(cc1)CN(CCCN2CCCCC2)c3cc(no3)c4ccccc4

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.