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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-
RN: 161559-34-8
InChIKey: KKHFRAFPESRGGD-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N5-O2

Molecular Weight

  • 327.3859
 
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Names and Synonyms

Synonym

  • 3,7-Dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-1H-purine-2,6-dione

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-

Registry Numbers

CAS Registry Number

  • 161559-34-8

System Generated Number

  • 0161559348

Structure Descriptors

InChI

1S/C17H21N5O2/c1-19(13-8-5-4-6-9-13)10-7-11-22-12-18-15-14(22)16(23)21(3)17(24)20(15)2/h4-6,8-9,12H,7,10-11H2,1-3H3

InChIKey

KKHFRAFPESRGGD-UHFFFAOYSA-N

Smiles

CN(CCCn1cnc2N(C)C(=O)N(C)C(=O)c12)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 116mg/kg (116mg/kg)   Acta Medica Kinki University. Vol. 19, Pg. 99, 1994.
mouse LD50 oral 299mg/kg (299mg/kg)   Acta Medica Kinki University. Vol. 19, Pg. 99, 1994.
rat LD50 intraperitoneal 116mg/kg (116mg/kg)   Acta Medica Kinki University. Vol. 19, Pg. 99, 1994.
rat LD50 intravenous 102mg/kg (102mg/kg)   Acta Medica Kinki University. Vol. 19, Pg. 99, 1994.
rat LD50 oral 1639mg/kg (1639mg/kg)   Acta Medica Kinki University. Vol. 19, Pg. 99, 1994.