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Substance Name: 1(2H)-Pyrimidineethanamine, tetrahydro-N-phenyl-3-(2-phenylethyl)-, ethanedioate, hydrate (2:4:1)
RN: 77869-69-3
InChIKey: NXCCKJIQMYZKNG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N3.2C2-H2-O4.1/2H2-O

Molecular Weight

  • 489.5219
 
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Names and Synonyms

Synonym

  • N-(2-(3-Phenethylhexahydropyrimidino)ethyl)aniline oxalate hydrate

Systematic Name

  • 1(2H)-Pyrimidineethanamine, tetrahydro-N-phenyl-3-(2-phenylethyl)-, ethanedioate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 77869-69-3

System Generated Number

  • 0077869693

Molecular Formulas

Molecular Formula

  • C20-H27-N3.2C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H27-N3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H27N3.2C2H2O4/c1-3-8-19(9-4-1)12-16-22-14-7-15-23(18-22)17-13-21-20-10-5-2-6-11-20;2*3-1(4)2(5)6/h1-6,8-11,21H,7,12-18H2;2*(H,3,4)(H,5,6)

InChIKey

NXCCKJIQMYZKNG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCN2CCCN(C2)CCNc3ccccc3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 300mg/kg (300mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 3310, 1980.