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Substance Name: Butyric acid, 4,4,4-trinitro-, isopropyl ester
RN: 15421-43-9
InChIKey: WWJLKJKDXJKRBI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H11-N3-O8

Molecular Weight

  • 265.177
 
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Names and Synonyms

Synonym

  • 4,4,4-Trinitrobutyric acid isopropyl ester

Systematic Name

  • Butyric acid, 4,4,4-trinitro-, isopropyl ester

Registry Numbers

CAS Registry Number

  • 15421-43-9

System Generated Number

  • 0015421439

Structure Descriptors

InChI

1S/C7H11N3O8/c1-5(2)18-6(11)3-4-7(8(12)13,9(14)15)10(16)17/h5H,3-4H2,1-2H3

InChIKey

WWJLKJKDXJKRBI-UHFFFAOYSA-N

Smiles

C(CCC(OC(C)C)=O)([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 500mg/kg (500mg/kg)   Farmakologiya i Toksikologiya Vol. 30, Pg. 56, 1967.