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Substance Name: 9-Ethyl-6-mercaptopurine
RN: 5427-20-3
UNII: V24R30Q68Z
InChIKey: APDNCRBSYUOIKC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-N4-S

Molecular Weight

  • 180.234
 
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Names and Synonyms

Name of Substance

  • 9-Ethyl-6-mercaptopurine

Synonyms

  • 5-26-13-00225 (Beilstein Handbook Reference)
  • 680
  • 9-Ethyl mercaptopurine
  • 9-Ethyl-1,9-dihydro-6H-purine-6-thione
  • 9-Ethyl-6-mercaptopurine
  • 9-Ethyl-6-MP
  • 9H-Purine-6(1H)-thione, 9-ethyl-
  • AI3-50230
  • BRN 0162062
  • NSC 14575
  • UNII-V24R30Q68Z

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 5427-20-3

FDA UNII

  • V24R30Q68Z

Other Registry Number

  • 17416-85-2

System Generated Number

  • 0005427203

Structure Descriptors

InChI

1S/C7H8N4S/c1-2-11-4-10-5-6(11)8-3-9-7(5)12/h3-4H,2H2,1H3,(H,8,9,12)

InChIKey

APDNCRBSYUOIKC-UHFFFAOYSA-N

Smiles

c12c(c(ncn2)S)ncn1CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 unreported 52mg/kg (52mg/kg)   Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970.
mouse LD50 intraperitoneal 289mg/kg (289mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 intraperitoneal 400mg/kg (400mg/kg)   Advances in Teratology. Vol. 3, Pg. 181, 1968.