Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 6-Benzylthioguanine
RN: 1874-58-4
UNII: Z89Y54IWIJ
InChIKey: JQMGATKUPCKDEG-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C12-H11-N5-S

Molecular Weight

  • 257.32
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 6-Benzylthioguanine

Synonyms

  • 2-Amino-6-(benzylthio)purine
  • 2-Amino-6-benzyl-MP
  • 2-Amino-6-benzylmercaptopurine
  • 6-((Phenylmethyl)thio)-1H-purin-2-amine
  • 6-Benzylthioguanine
  • AI3-50232
  • Benzylthioguanine
  • Benzythioguanine
  • BTG
  • EINECS 217-502-2
  • NSC 15747
  • Purine, 2-amino-6-(benzylthio)-
  • SRI 702
  • UNII-Z89Y54IWIJ

Systematic Names

  • 1H-Purin-2-amine, 6-((phenylmethyl)thio)- (9CI)
  • 6-((Phenylmethyl)thio)-1H-purin-2-amine
  • Purine, 2-amino-6-(benzylthio)-

Registry Numbers

CAS Registry Number

  • 1874-58-4

FDA UNII

  • Z89Y54IWIJ

System Generated Number

  • 0001874584

Structure Descriptors

InChI

1S/C12H11N5S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)

InChIKey

JQMGATKUPCKDEG-UHFFFAOYSA-N

Smiles

c12c(SCc3ccccc3)[nH]c(N)nc1ncn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 222mg/kg (222mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,