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Substance Name: 4-Pyrimidinamine, N-2-cyclopenten-1-yl-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-
RN: 36524-62-6
InChIKey: SMRVVXSZFVJHGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H37-N5

Molecular Weight

  • 515.701
 
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Names and Synonyms

Synonyms

  • 5-25-12-00028 (Beilstein Handbook Reference)
  • BRN 0734829
  • N-2-Cyclopenten-1-yl-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-4-pyrimidinamine

Systematic Name

  • 4-Pyrimidinamine, N-2-cyclopenten-1-yl-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 36524-62-6

System Generated Number

  • 0036524626

Structure Descriptors

InChI

1S/C34H37N5/c1-4-12-28(13-5-1)34(29-14-6-2-7-15-29,30-16-8-3-9-17-30)21-23-38-24-26-39(27-25-38)33-35-22-20-32(37-33)36-31-18-10-11-19-31/h1-10,12-18,20,22,31H,11,19,21,23-27H2,(H,35,36,37)

InChIKey

SMRVVXSZFVJHGS-UHFFFAOYSA-N

Smiles

c1(nc(ccn1)N[C@@H]1C=CCC1)N1CCN(CC1)CCC(c1ccccc1)(c1ccccc1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 295, 1972.