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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-(cyclohexylmethylamino)propyl)-1,3-dimethyl-, monohydrochloride
RN: 157309-20-1
InChIKey: MYAOJVGJDPBEFU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N5-O2.Cl-H

Molecular Weight

  • 369.8942
 
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Names and Synonyms

Synonyms

  • 7-(3-(Cyclohexylmethylamino)propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride
  • 7-(3-(N-methyl-N-cyclohexyl)aminopropyl)-1,3-dimethylxanthine hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 157309-20-1

System Generated Number

  • 0157309201

Molecular Formulas

Molecular Formula

  • C17-H27-N5-O2.Cl-H

Molecular Formula Fragments

  • C17-H27-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27N5O2.ClH/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;/h12-13H,4-11H2,1-3H3;1H

InChIKey

MYAOJVGJDPBEFU-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCN(C)C3CCCCC3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 117mg/kg (117mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.
mouse LD50 oral 299mg/kg (299mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.
rat LD50 intraperitoneal 117mg/kg (117mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.
rat LD50 intravenous 103mg/kg (103mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.
rat LD50 oral 1639mg/kg (1639mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.