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Substance Name: 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)
RN: 77869-59-1
InChIKey: QHURIDLCWVWERU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N3.2C2-H2-O4

Molecular Weight

  • 399.3975
 
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Names and Synonyms

Synonyms

  • N-(2-(3-Methylhexahydropyrimidino)ethyl)aniline oxalate
  • Tetrahydro-3-methyl-N-phenyl-1(2H)-pyrimidineethanamine ethanedioate (1:2)

Systematic Name

  • 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 77869-59-1

System Generated Number

  • 0077869591

Molecular Formulas

Molecular Formula

  • C13-H21-N3.2C2-H2-O4

Molecular Formula Fragments

  • C13-H21-N3
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21N3.2C2H2O4/c1-15-9-5-10-16(12-15)11-8-14-13-6-3-2-4-7-13;2*3-1(4)2(5)6/h2-4,6-7,14H,5,8-12H2,1H3;2*(H,3,4)(H,5,6)

InChIKey

QHURIDLCWVWERU-UHFFFAOYSA-N

Smiles

CN1CCCN(C1)CCNc2ccccc2.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) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 3310, 1980.