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Substance Name: Methylthioinosine dihydrate
RN: 7143-67-1
UNII: LG7L4NU85R
InChIKey: DBJNGORDTSVFFQ-LHPQOZGMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N4-O4-S.H2-O

Molecular Weight

  • 316.336
 
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Names and Synonyms

Name of Substance

  • Methylthioinosine dihydrate

Synonyms

  • 6-Methylthio-9-beta-D-ribofuranosyl-9H-purine monohydrate
  • NSC-40774
  • UNII-LG7L4NU85R

Systematic Name

  • 9H-Purine, 6-(methylthio)-9-beta-D-ribofuranosyl-, monohydrate

Registry Numbers

CAS Registry Number

  • 7143-67-1

FDA UNII

  • LG7L4NU85R

System Generated Number

  • 0007143671

Molecular Formulas

Molecular Formula

  • C11-H14-N4-O4-S.H2-O

Molecular Formula Fragments

  • C11-H14-N4-O4-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C11H14N4O4S.H2O/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11;/h3-5,7-8,11,16-18H,2H2,1H3;1H2/t5-,7?,8?,11-;/m1./s1

InChIKey

DBJNGORDTSVFFQ-LHPQOZGMSA-N

Smiles

n1([C@H]2[C@@H]([C@@H](O)[C@H](O2)CO)O)c2c(c(SC)ncn2)nc1.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 437mg/kg (437mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 130, 1965.
mouse LD50 oral 501mg/kg (501mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 130, 1965.
rat LD50 intravenous 65mg/kg (65mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 130, 1965.
rat LD50 oral 214mg/kg (214mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 130, 1965.