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Substance Name: Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1)
RN: 114684-97-8
InChIKey: XARMZYITOMIWNN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl2-N8-O4.H2-O

Molecular Weight

  • 254.6759
 
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Names and Synonyms

Synonym

  • 4-((2-Chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)butanoic acid hydrate (2:1)

Systematic Name

  • Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 114684-97-8

System Generated Number

  • 0114684978

Molecular Formulas

Molecular Formula

  • C20-H22-Cl2-N8-O4.H2-O

Molecular Formula Fragments

  • C20-H22-Cl2-N8-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C10H11ClN4O2/c11-10-14-6-3-5-12-8(6)9(15-10)13-4-1-2-7(16)17/h3,5,12H,1-2,4H2,(H,16,17)(H,13,14,15)

InChIKey

XARMZYITOMIWNN-UHFFFAOYSA-N

Smiles

OC(=O)CCCNc1nc(Cl)nc2cc[nH]c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 135, 1988.