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Substance Name: Thiocyanic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl ester
RN: 3737-44-8
InChIKey: UMTCUOGPPFMKEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N5-O2-S

Molecular Weight

  • 265.2959
 
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Names and Synonyms

Synonyms

  • 2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate
  • 4-26-00-02363 (Beilstein Handbook Reference)
  • BRN 0287788
  • T(sub 52)

Systematic Name

  • Thiocyanic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl ester

Registry Numbers

CAS Registry Number

  • 3737-44-8

System Generated Number

  • 0003737448

Structure Descriptors

InChI

1S/C10H11N5O2S/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)3-4-18-5-11/h6H,3-4H2,1-2H3

InChIKey

UMTCUOGPPFMKEN-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCSC#N)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16750ug/kg (16.75mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
Archivum Immunologiae et Therapiae Experimentalis. Vol. 10, Pg. 141, 1962.