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Substance Name: 1(2H)-Pyrimidineethanamine, tetrahydro-3-ethyl-N-phenyl-, ethanedioate, hydrate (2:4:3)
RN: 77869-61-5
InChIKey: NNGMYIKHMOXUDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N3.2C2-H2-O4.3/2H2-O

Molecular Weight

  • 413.4243
 
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Names and Synonyms

Synonyms

  • N-(2-(3-Ethylhexahydropyrimidino)ethyl)aniline oxalate hydrate
  • Tetrahydro-3-ethyl-N-phenyl-1(2H)-pyrimidineethanamine ethanedioate, hydrate (2:4:3)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77869-61-5

System Generated Number

  • 0077869615

Molecular Formulas

Molecular Formula

  • C14-H23-N3.2C2-H2-O4.3/2H2-O

Molecular Formula Fragments

  • C14-H23-N3
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H23N3.2C2H2O4/c1-2-16-10-6-11-17(13-16)12-9-15-14-7-4-3-5-8-14;2*3-1(4)2(5)6/h3-5,7-8,15H,2,6,9-13H2,1H3;2*(H,3,4)(H,5,6)

InChIKey

NNGMYIKHMOXUDV-UHFFFAOYSA-N

Smiles

CCN1CCCN(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.