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Substance Name: 9-(n-Butyl)-6-mercaptopurine
RN: 6165-01-1
UNII: ET6G10399F
InChIKey: HRAKJMXGVYBTRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-S

Molecular Weight

  • 208.288
 
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Names and Synonyms

Name of Substance

  • 9-(n-Butyl)-6-mercaptopurine

Synonyms

  • 9-Butyl mercaptopurine
  • 9-Butyl-1,9-dihydro-6H-purine-6-thione
  • 9-Butyl-6-mercaptopurine
  • 9-Butyl-6-MP
  • 9-Butyl-6MP
  • 9-Butyl-9H-purine-6-thiol
  • AI3-50239
  • BuMP
  • NSC 19488
  • SRI 753
  • UNII-ET6G10399F

Systematic Names

  • 6H-Purine-6-thione, 9-butyl-1,9-dihydro- (9CI)
  • 9H-Purine-6-thiol, 9-butyl-

Registry Numbers

CAS Registry Number

  • 6165-01-1

FDA UNII

  • ET6G10399F

System Generated Number

  • 0006165011

Structure Descriptors

InChI

1S/C9H12N4S/c1-2-3-4-13-6-12-7-8(13)10-5-11-9(7)14/h5-6H,2-4H2,1H3,(H,10,11,14)

InChIKey

HRAKJMXGVYBTRV-UHFFFAOYSA-N

Smiles

c12ncn(c1ncnc2S)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LDLo intraperitoneal 300mg/kg (300mg/kg)   Clinical Proceedings of the Children's Hospital of the District of Columbia. Vol. 18, Pg. 307, 1962.