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Substance Name: Cycloocta(b)thiophen-5,9-imine, 4,5,7,9-tetrahydro-7,10-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1)
RN: 67061-91-0
InChIKey: GDXJOKDHUMMOBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-S.C6-H4-N3-O7

Molecular Weight

  • 434.4272
 
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Names and Synonyms

Synonym

  • 7,10-Dimethyl-5,9-imino-4,5,8,9-tetrahydrocyclooct(b)thiophene picrate

Systematic Name

  • Cycloocta(b)thiophen-5,9-imine, 4,5,7,9-tetrahydro-7,10-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1)

Registry Numbers

CAS Registry Number

  • 67061-91-0

System Generated Number

  • 0067061910

Molecular Formulas

Molecular Formula

  • C12-H15-N-S.C6-H4-N3-O7

Molecular Formula Fragments

  • C12-H15-N-S
  • C6-H4-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15NS.C6H3N3O7/c1-8-5-10-7-9-3-4-14-12(9)11(6-8)13(10)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,10-11H,6-7H2,1-2H3;1-2,10H

InChIKey

GDXJOKDHUMMOBR-UHFFFAOYSA-N

Smiles

CC1=CC2Cc3ccsc3C(C1)N2C.c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 159mg/kg (159mg/kg)   United States Patent Document. Vol. #4174396,