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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(cyclohexylmethylamino)ethyl)-1,3-dimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
RN: 157309-18-7
InChIKey: KVKDDZMXSBYNGO-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N5-O2.C4-H4-O6

Molecular Weight

  • 469.4919
 
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Names and Synonyms

Synonyms

  • 7-(2-(Cyclohexylmethylamino)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione tartrate
  • 7-(2-(N-Methyl-N-cyclohexyl)aminoethyl)-1,3-dimethylxanthine tartrate

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(cyclohexylmethylamino)ethyl)-1,3-dimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 157309-18-7

System Generated Number

  • 0157309187

Molecular Formulas

Molecular Formula

  • C16-H25-N5-O2.C4-H4-O6

Molecular Formula Fragments

  • C16-H25-N5-O2
  • C4-H4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25N5O2.C4H6O6/c1-18(12-7-5-4-6-8-12)9-10-21-11-17-14-13(21)15(22)20(3)16(23)19(14)2;5-1(3(7)8)2(6)4(9)10/h11-12H,4-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

KVKDDZMXSBYNGO-LREBCSMRSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCN(C)C3CCCCC3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 207mg/kg (207mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.
mouse LD50 oral 598mg/kg (598mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.
rat LD50 intraperitoneal 207mg/kg (207mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.
rat LD50 intravenous 117mg/kg (117mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.
rat LD50 oral 2880mg/kg (2880mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 295, 1994.