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Substance Name: Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate
RN: 37033-23-1
InChIKey: CXEAYXYFMJEELK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N4.C2-H6-O3-S

Molecular Weight

  • 382.526
 
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Names and Synonyms

Synonyms

  • 5-(1-Adamantyl)-2,4-diamino-6-ethylpyrimidine ethylsulfonate
  • DAEP-ES

Systematic Name

  • Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate

Registry Numbers

CAS Registry Number

  • 37033-23-1

System Generated Number

  • 0037033231

Molecular Formulas

Molecular Formula

  • C16-H24-N4.C2-H6-O3-S

Molecular Formula Fragments

  • C16-H24-N4
  • C2-H6-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24N4.C2H6O3S/c1-2-12-13(14(17)20-15(18)19-12)16-6-9-3-10(7-16)5-11(4-9)8-16;1-2-6(3,4)5/h9-11H,2-8H2,1H3,(H4,17,18,19,20);2H2,1H3,(H,3,4,5)

InChIKey

CXEAYXYFMJEELK-UHFFFAOYSA-N

Smiles

C1C2CC3CC1CC(C3)(c1c(N)nc(N)nc1CC)C2.CCS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BEHAVIORAL: EXCITEMENT

BLOOD: OTHER CHANGES
Journal of the National Cancer Institute. Vol. 60, Pg. 1029, 1978.
rat LD50 intraperitoneal 15mg/kg (15mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BEHAVIORAL: EXCITEMENT

BLOOD: OTHER CHANGES
Journal of the National Cancer Institute. Vol. 60, Pg. 1029, 1978.