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Substance Name: 6-Thioguanosine
RN: 85-31-4
UNII: C558LI0K8P
InChIKey: OTDJAMXESTUWLO-UUOKFMHZSA-N

Classification Codes

  • Antimetabolites
  • Antimetabolites, Antineoplastic
  • Antineoplastic Agents
  • Drug / Therapeutic Agent
  • Noxae

Molecular Formula

  • C10-H13-N5-O4-S

Molecular Weight

  • 299.3097
 
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Names and Synonyms

Name of Substance

  • 6-Thioguanosine

Synonyms

  • 2-Amino-6-mercapto-9(beta-D-ribofuranosyl)purine
  • 2-Amino-6-mercaptopurine ribonucleoside
  • 2-Amino-6-mercaptopurine riboside
  • 2-Amino-9-(beta-D-ribofuranosyl)purine-6-thiol
  • 2-Amino-9-beta-D-ribofuranosyl-9H-purine-6-thiol
  • 2-Amino-9beta-D-ribofuranosyl-9H-purine-6-thiol
  • 6-Mercaptoguanosine
  • 6-Thiodeoxyguanosine
  • 6-Thioguanine ribonucleoside
  • 6-Thioguanine riboside
  • 6-Thioguanosine
  • 6-Thioguanosine (VAN)
  • 6H-Purine-6-thione, 2-amino-1,9-dihydro-9-beta-D-ribofuranosyl-
  • 9H-Purine-6-thiol, 2-amino-9-beta-D-ribofuranosyl-
  • 9H-Purine-6-thiol, 2-amino-9beta-D-ribofuranosyl-
  • AI3-50278
  • EINECS 201-597-2
  • Guanosine, 6-thio-
  • NSC-29422
  • Ribosylthioguanine
  • SK 18615
  • SRI 759
  • TGR
  • TGS
  • Thioguanine riboside
  • Thioguanosine
  • UNII-C558LI0K8P

Systematic Names

  • 2-Amino-6-mercaptopurin-9-ylriboside
  • 6H-Purine-6-thione, 2-amino-1,9-dihydro-9-beta-D-ribofuranosyl- (8CI)
  • 9H-Purine-6-thiol, 2-amino-9-beta-D-ribofuranosyl-
  • Guanosine, 6-thio- (9CI)

Registry Numbers

CAS Registry Number

  • 85-31-4

FDA UNII

  • C558LI0K8P

System Generated Number

  • 0000085314

Structure Descriptors

InChI

1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1

InChIKey

OTDJAMXESTUWLO-UUOKFMHZSA-N

Smiles

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2S)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 unreported 1700mg/kg (1700mg/kg)   Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970.
mouse LD50 intraperitoneal 156mg/kg (156mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Advances in Teratology. Vol. 3, Pg. 181, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.33 (none)   EXP
log P (octanol-water) -0.840 (none)   EST
Atmospheric OH Rate Constant 2.38E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.