Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cycloocta(b)thiophen-5,9-imine, 4,5,8,9-tetrahydro-6,7,10-trimethyl-, compd. with 2,4,6-trinitrophenol (1:1)
RN: 67061-93-2
InChIKey: DCTNEJBSNHNOOD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N-S.C6-H3-N3-O7

Molecular Weight

  • 448.454
 
* 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

Synonyms

  • 6,7,10-Trimethyl-5,9-imino-4,5,8,9-tetrahydro-cycloocta(b)-thiophenpicrat
  • 6,7,10-Trimethyl-5,9-imino-4,5,8,9-tetrahydro-cycloocta(b)-thiophenpicrat [German]

Systematic Name

  • Cycloocta(b)thiophen-5,9-imine, 4,5,8,9-tetrahydro-6,7,10-trimethyl-, compd. with 2,4,6-trinitrophenol (1:1)

Registry Numbers

CAS Registry Number

  • 67061-93-2

System Generated Number

  • 0067061932

Molecular Formulas

Molecular Formula

  • C13-H17-N-S.C6-H3-N3-O7

Molecular Formula Fragments

  • C13-H17-N-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17NS.C6H3N3O7/c1-8-6-12-13-10(4-5-15-13)7-11(9(8)2)14(12)3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,11-12H,6-7H2,1-3H3;1-2,10H

InChIKey

DCTNEJBSNHNOOD-UHFFFAOYSA-N

Smiles

CC1=C(C2Cc3ccsc3C(C1)N2C)C.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)   German Offenlegungsschrift Patent Document. Vol. #2814645,