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Substance Name: Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-
RN: 34210-02-1
InChIKey: YTIOPNHCAHIHFP-SNAWJCMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N3-O6

Molecular Weight

  • 295.25
 
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Names and Synonyms

Synonyms

  • (Dinitro-2',6' methyl-3' isopropyl-4' phenyl)-1 nitro-2 ethylene
  • BRN 2170906
  • trans-4-Isopropyl-3-methyl-beta,2,6-trinitrostyrene

Systematic Name

  • Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-

Registry Numbers

CAS Registry Number

  • 34210-02-1

System Generated Number

  • 0034210021

Structure Descriptors

InChI

1S/C12H13N3O6/c1-7(2)10-6-11(14(18)19)9(4-5-13(16)17)12(8(10)3)15(20)21/h4-7H,1-3H3/b5-4+

InChIKey

YTIOPNHCAHIHFP-SNAWJCMRSA-N

Smiles

c1(c(c(c(c(c1)[N+](=O)[O-])\C=C\[N+](=O)[O-])[N+](=O)[O-])C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 80mg/kg (80mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 186, 1971.