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Substance Name: 1-Piperidinepropanamine, gamma-methyl-N-(3-phenyl-5-isoxazolyl)-N-(phenylmethyl)-, ethanedioate, hydrate (2:2:1)
RN: 103785-35-9
InChIKey: YYVKKOVIZRJPSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N3-O.C2-H2-O4.1/2H2-O

Molecular Weight

  • 977.1622
 
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Names and Synonyms

  • 1-Piperidinepropanamine, gamma-methyl-N-(3-phenyl-5-isoxazolyl)-N-(phenylmethyl)-, ethanedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 103785-35-9

System Generated Number

  • 0103785359

Molecular Formulas

Molecular Formula

  • C25-H31-N3-O.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H31-N3-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C25H31N3O.2C2H2O4.H2O/c2*1-21(27-16-9-4-10-17-27)15-18-28(20-22-11-5-2-6-12-22)25-19-24(26-29-25)23-13-7-3-8-14-23;2*3-1(4)2(5)6;/h2*2-3,5-8,11-14,19,21H,4,9-10,15-18,20H2,1H3;2*(H,3,4)(H,5,6);1H2

InChIKey

YYVKKOVIZRJPSM-UHFFFAOYSA-N

Smiles

CC(CCN(Cc1ccccc1)c2cc(no2)c3ccccc3)N4CCCCC4.CC(CCN(Cc1ccccc1)c2cc(no2)c3ccccc3)N4CCCCC4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)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.